+publisher:"University of North Carolina" +contributor:("Baer, Tomas")

University of North Carolina

1. Stevens, William R. Modeling of complex ionic dissociation reactions observed by TPEPICO spectroscopy.

Degree: Chemistry, 2010, University of North Carolina

URL: https://cdr.lib.unc.edu/record/uuid:3522c66b-f664-4c67-b677-2a960c1d3433

► TPEPICO spectra of dissociatively ionized chlorobenzene, bromobenzene, and iodobenzene have been measured to test the ability of different statistical rate theories to accurately calculate rate… (more)

▼ TPEPICO spectra of dissociatively ionized chlorobenzene, bromobenzene, and iodobenzene have been measured to test the ability of different statistical rate theories to accurately calculate rate constants of homolytic bond cleavages of ions. For this purpose we have developed a method for extracting experimental rate constants at a single internal energy from TPEPICO spectra of thermal ions. It was determined that, of the theories tested, simplified versions of variational transition state theory (VTST) and statistical adiabatic channel model (SACM) were both capable of fitting the rate constants and predicting the known bond energies of all three halobenzenes. RRKM theory was capable of fitting the rate constants but predicted a bond energy that was too low. PST could neither fit the data nor predict the correct E0. The much simpler to employ simplified SACM (SSACM) was applied in the dissociations of nitrosobenzene and neopentane. Chapter 1 is an introduction to the following chapters, dealing with the motivation to determine high precision bond energies of complex dissociations. Chapter 2 is a discussion of the experimental methods employed to observe photoionization and photodissociation processes. Chapter 3 describes the study of the simple isopropyl halide dissociation to determine the isopropyl ion heat of formation. In Chapter 4 we discuss the measurement of rate constants at specific ion internal energies for the dissociation of the halobenzenes in order to compare the ability of different rate theories to model homolytic bond cleavages. Chapters 5 and 6 are applications of the SSACM described in Chapter 4 to the dissociations of the nitrosobenzene and neopentane ions. Like the halobenzenes in chapter 4, the nitrosobenzene ion dissociation is slow and requires rate theories to determine the bond energy. The thermochemistry of the dissociation of both ionic and neutral dissociations of nitrosobenzene are improved using active thermochemical tables. In chapter 6 the bond energy for the methyl loss of neopentane is determined. Although this reaction occurs rapidly, there is a lower energy dissociation pathway that masks the methyl loss channel at threshold thus requiring extrapolation to determine the bond energy. Advisors/Committee Members: Stevens, William R., Baer, Tomas, University of North Carolina at Chapel Hill.

Subjects/Keywords: College of Arts and Sciences; Department of Chemistry

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APA (6^th Edition):

Stevens, W. R. (2010). Modeling of complex ionic dissociation reactions observed by TPEPICO spectroscopy. (Thesis). University of North Carolina. Retrieved from https://cdr.lib.unc.edu/record/uuid:3522c66b-f664-4c67-b677-2a960c1d3433

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16^th Edition):

Stevens, William R. “Modeling of complex ionic dissociation reactions observed by TPEPICO spectroscopy.” 2010. Thesis, University of North Carolina. Accessed January 16, 2021. https://cdr.lib.unc.edu/record/uuid:3522c66b-f664-4c67-b677-2a960c1d3433.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7^th Edition):

Stevens, William R. “Modeling of complex ionic dissociation reactions observed by TPEPICO spectroscopy.” 2010. Web. 16 Jan 2021.

Vancouver:

Stevens WR. Modeling of complex ionic dissociation reactions observed by TPEPICO spectroscopy. [Internet] [Thesis]. University of North Carolina; 2010. [cited 2021 Jan 16]. Available from: https://cdr.lib.unc.edu/record/uuid:3522c66b-f664-4c67-b677-2a960c1d3433.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Stevens WR. Modeling of complex ionic dissociation reactions observed by TPEPICO spectroscopy. [Thesis]. University of North Carolina; 2010. Available from: https://cdr.lib.unc.edu/record/uuid:3522c66b-f664-4c67-b677-2a960c1d3433

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

University of North Carolina

2. Chernookiy, Dmitriy. Optimization of the Cylindrical Ion Trap Geometry for Mass Analysis at High Pressure.

Degree: Chemistry, 2016, University of North Carolina

URL: https://cdr.lib.unc.edu/record/uuid:35091f74-4b2d-4517-8c3f-365341701b07

► The cylindrical ion trap (CIT) provides many advantages for implementing mass spectrometry at elevated background pressures, presenting a practical route for the realization of a… (more)

▼ The cylindrical ion trap (CIT) provides many advantages for implementing mass spectrometry at elevated background pressures, presenting a practical route for the realization of a hand-portable device with performance that is suitable for many critical applications. This objective can be achieved through favorable scaling properties whereby high drive frequencies combined with small trap dimensions compensate for the loss of mass resolution from higher collisional damping rates. However, the simplified geometry of the CIT from the ideal hyperbolic electrode profile gives rise to higher-order fields that must be optimized for satisfactory performance. Previous investigations of CIT geometry have addressed performance at relatively low background pressures (ca. 1 mTorr) with only a few trap configurations. In this work, a practical range of CIT geometry parameters was experimentally evaluated at pressures between ca. 20 to 1000 mTorr of helium at a drive frequency of 9 MHz for ring electrodes with a 0.500 mm radius. Mesh-covered endcap electrodes were substituted for the traditional aperture-style design to mitigate alignment concerns, which proved to be robust and not inherently limiting to resolution. The study focused on the major parameters of ring electrode thickness (0.600, 0.650, 0.700, 0.750 and 0.800 mm) and ring-to-endcap spacing (varied between 0.075 to 0.300 mm) for a total of 20 unique traps. The optimization results are reported in terms of these dimensions and are also generalized by correlating performance changes to specific multipole fields. The octopole was found to be strongly correlated with trends in resolution at all pressures, with the dodecapole serving a minor role; the effects of all higher terms were confirmed to be inconsequential on a first-approach basis. At lower pressures resolution was primarily improved through an extension of the overall field linearity and the enhancement of an octopolar nonlinear resonance for double-resonance ejection, while at higher pressures it appears to benefit from the dynamic stabilization offered by more-than-linear fields. Thus, the optimal trap geometry was found to vary with the degree of damping and the mode of mass analysis. However, the spectral peak width was minimized over the widest pressure range with octopole strengths near 10% relative to the quadrupole. Advisors/Committee Members: Chernookiy, Dmitriy, Ramsey, J. Michael, Jorgenson, James, Glish, Gary, Mitran, Sorin, Baer, Tomas.

Subjects/Keywords: College of Arts and Sciences; Department of Chemistry

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APA (6^th Edition):

Chernookiy, D. (2016). Optimization of the Cylindrical Ion Trap Geometry for Mass Analysis at High Pressure. (Thesis). University of North Carolina. Retrieved from https://cdr.lib.unc.edu/record/uuid:35091f74-4b2d-4517-8c3f-365341701b07

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16^th Edition):

Chernookiy, Dmitriy. “Optimization of the Cylindrical Ion Trap Geometry for Mass Analysis at High Pressure.” 2016. Thesis, University of North Carolina. Accessed January 16, 2021. https://cdr.lib.unc.edu/record/uuid:35091f74-4b2d-4517-8c3f-365341701b07.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7^th Edition):

Chernookiy, Dmitriy. “Optimization of the Cylindrical Ion Trap Geometry for Mass Analysis at High Pressure.” 2016. Web. 16 Jan 2021.

Vancouver:

Chernookiy D. Optimization of the Cylindrical Ion Trap Geometry for Mass Analysis at High Pressure. [Internet] [Thesis]. University of North Carolina; 2016. [cited 2021 Jan 16]. Available from: https://cdr.lib.unc.edu/record/uuid:35091f74-4b2d-4517-8c3f-365341701b07.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Chernookiy D. Optimization of the Cylindrical Ion Trap Geometry for Mass Analysis at High Pressure. [Thesis]. University of North Carolina; 2016. Available from: https://cdr.lib.unc.edu/record/uuid:35091f74-4b2d-4517-8c3f-365341701b07

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

University of North Carolina

3. Rosen, Elias Patrick. Morphological effects on coated aerosol kinetics.

Degree: Chemistry, 2008, University of North Carolina

URL: https://cdr.lib.unc.edu/record/uuid:6827be6b-5311-4ac1-b201-6e677ca9d5cc

► Single-particle kinetic studies of the reaction between oleic acid and O3 have been conducted on two different types of core particles: polystyrene latex and silica.… (more)

Subjects/Keywords: College of Arts and Sciences; Department of Chemistry

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APA (6^th Edition):

Rosen, E. P. (2008). Morphological effects on coated aerosol kinetics. (Thesis). University of North Carolina. Retrieved from https://cdr.lib.unc.edu/record/uuid:6827be6b-5311-4ac1-b201-6e677ca9d5cc

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16^th Edition):

Rosen, Elias Patrick. “Morphological effects on coated aerosol kinetics.” 2008. Thesis, University of North Carolina. Accessed January 16, 2021. https://cdr.lib.unc.edu/record/uuid:6827be6b-5311-4ac1-b201-6e677ca9d5cc.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7^th Edition):

Rosen, Elias Patrick. “Morphological effects on coated aerosol kinetics.” 2008. Web. 16 Jan 2021.

Vancouver:

Rosen EP. Morphological effects on coated aerosol kinetics. [Internet] [Thesis]. University of North Carolina; 2008. [cited 2021 Jan 16]. Available from: https://cdr.lib.unc.edu/record/uuid:6827be6b-5311-4ac1-b201-6e677ca9d5cc.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Rosen EP. Morphological effects on coated aerosol kinetics. [Thesis]. University of North Carolina; 2008. Available from: https://cdr.lib.unc.edu/record/uuid:6827be6b-5311-4ac1-b201-6e677ca9d5cc

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

University of North Carolina

4. Kercher, James P. On parallel and sequential dissociations in energy selected ions.

Degree: Chemistry, 2006, University of North Carolina

URL: https://cdr.lib.unc.edu/record/uuid:f768ec25-b525-45d6-b07f-d867a435da1f

► The ability to extract rate constants and dissociation energies of parallel and sequential dissociation pathways in energy selected ions has been made possible by recent… (more)

▼ The ability to extract rate constants and dissociation energies of parallel and sequential dissociation pathways in energy selected ions has been made possible by recent advances in threshold photoelectron photoion coincidence (TPEPICO) spectrometry. The incorporation of velocity focusing optics for improved instrument resolution, the ability to subtract the energetic electron contamination in the threshold signal and a more robust modeling program are the key components in allowing higher energy reactions to be probed. In addition, the recent advances in computational chemistry have allowed the experimental results to be supported quickly and accurately. In many cases it has been used to uncover reaction mechanisms that would otherwise remain hidden. The work in this thesis is devoted to obtaining kinetic and thermochemical information from higher energy dissociation pathways. Both parallel and sequential reactions are discussed. The broad range molecules for which this technique can be applied makes it both useful and attractive. Chapter 1 is an introduction to the work presented, dealing with the motivation and methods of obtaining thermochemical properties of molecules. Chapter 2 is the description of the experimental and theoretical methods which are applied. A temperature dependant study on the iodine loss in n-butyl iodide ions is described in Chapter 3. Modeling this single-step reaction only requires the thermal energy distribution, but it provides a useful place to start, since the first step in parallel and sequential reactions are treated in the same manner. Chapters 4 and 5 deal with the determination of the physical properties of the acetyl ion and radical and well as the propionyl ion and radical from parallel dissociations of several energy-selected ketone ions. The thermochemsitry of six dihalomethanes of the form CH2XY, where X and Y are any combination of Cl, Br, and I are discussed in Chapter 6. In this analysis of parallel reactions, a complete thermochemical cycle is established to ensure that the results are self-consistent. Chapter 7 deals with the sequential ethane loss channels in a series of energy-selected ethyl phosphine ions. The statistical theory of energy-partitioning is used to extract dissociation onsets. Chapeter 8 is a study on 2-pentanone, an ion very similar to those studied in chapters 3 and 4, but one that dissociates in a much more interesting and complex manner. Although only 3 fragment ions are observed in the TOF distribution, there are 4 parallel and 1 sequential dissociation pathway. The ability to model these reactions clearly illustrates the power of the TPEPICO technique. Advisors/Committee Members: Kercher, James P., Baer, Tomas.

Subjects/Keywords: College of Arts and Sciences; Department of Chemistry

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

Kercher, J. P. (2006). On parallel and sequential dissociations in energy selected ions. (Thesis). University of North Carolina. Retrieved from https://cdr.lib.unc.edu/record/uuid:f768ec25-b525-45d6-b07f-d867a435da1f

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16^th Edition):

Kercher, James P. “On parallel and sequential dissociations in energy selected ions.” 2006. Thesis, University of North Carolina. Accessed January 16, 2021. https://cdr.lib.unc.edu/record/uuid:f768ec25-b525-45d6-b07f-d867a435da1f.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7^th Edition):

Kercher, James P. “On parallel and sequential dissociations in energy selected ions.” 2006. Web. 16 Jan 2021.

Vancouver:

Kercher JP. On parallel and sequential dissociations in energy selected ions. [Internet] [Thesis]. University of North Carolina; 2006. [cited 2021 Jan 16]. Available from: https://cdr.lib.unc.edu/record/uuid:f768ec25-b525-45d6-b07f-d867a435da1f.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Kercher JP. On parallel and sequential dissociations in energy selected ions. [Thesis]. University of North Carolina; 2006. Available from: https://cdr.lib.unc.edu/record/uuid:f768ec25-b525-45d6-b07f-d867a435da1f

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

University of North Carolina

5. Mysak, Erin R. Gentle photoionization of organic constituents using vacuum ultraviolet aerosol mass spectrometry.

Degree: Chemistry, 2006, University of North Carolina

URL: https://cdr.lib.unc.edu/record/uuid:65f20167-9b13-47a8-a19d-dd2586cf9461

► Aerosol particles have long been a primary focus of the atmospheric community due to their influence on human health, radiative forcing, and participation in atmospheric… (more)

▼ Aerosol particles have long been a primary focus of the atmospheric community due to their influence on human health, radiative forcing, and participation in atmospheric chemistry. Conventionally, aerosols have been collected on filters and analyzed off-line by GC-MS, LC-MS, and FTIR. These techniques made valuable inroads to particle speciation, however, the inherent physical and chemical artifacts during sampling initiated the development of a succession of on-line aerosol mass spectrometers. Currently, a variety of real-time aerosol mass spectrometers, many with single particle analysis capabilities, have been developed and installed in laboratories as well as in the field. Atmospheric aerosols are complex mixtures of inorganic and organic species, and whereas analysis of inorganics is rather straightforward due to their robust nature, organics are fragile and analysis is challenging. Several researchers have moved specifically towards analysis of organic aerosol particles, attempting to simplify peak assignment by reducing the fragmentation of these delicate molecules. The initial portion of this project involved design and development of an aerosol mass spectrometer, ideal for analyzing a wide size range of organic aerosol particles. The novel mass spectrometer uses both continuous vaporization with a cartridge heater and quasiiv continuous photoionization by tunable vacuum ultraviolet light produced by synchrotron radiation. Coupling continuous vaporization and ionization techniques with a high brightness photon source allows analysis of ultrafine aerosol particles, which have high toxicity and high number concentration in ambient air. Several atmospherically relevant organic molecules are examined, along with a more complex yet more realistic secondary organic aerosols formed from terpene ozonolysis. Finally, a timing circuit used to analyze single particles (diameter > 200nm) was designed and developed. The versatile electronic circuit can be used to couple multi-laser systems having pre-triggering requirements to single particle arrival in the ionization region of the mass spectrometer. It can also be applied to continuous vaporization and ionization schemes where one wants to pulse ions into a time of flight analyzer as particles arrive in the interaction region. Advisors/Committee Members: Mysak, Erin R., Baer, Tomas.

Subjects/Keywords: College of Arts and Sciences; Department of Chemistry

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APA (6^th Edition):

Mysak, E. R. (2006). Gentle photoionization of organic constituents using vacuum ultraviolet aerosol mass spectrometry. (Thesis). University of North Carolina. Retrieved from https://cdr.lib.unc.edu/record/uuid:65f20167-9b13-47a8-a19d-dd2586cf9461

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16^th Edition):

Mysak, Erin R. “Gentle photoionization of organic constituents using vacuum ultraviolet aerosol mass spectrometry.” 2006. Thesis, University of North Carolina. Accessed January 16, 2021. https://cdr.lib.unc.edu/record/uuid:65f20167-9b13-47a8-a19d-dd2586cf9461.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7^th Edition):

Mysak, Erin R. “Gentle photoionization of organic constituents using vacuum ultraviolet aerosol mass spectrometry.” 2006. Web. 16 Jan 2021.

Vancouver:

Mysak ER. Gentle photoionization of organic constituents using vacuum ultraviolet aerosol mass spectrometry. [Internet] [Thesis]. University of North Carolina; 2006. [cited 2021 Jan 16]. Available from: https://cdr.lib.unc.edu/record/uuid:65f20167-9b13-47a8-a19d-dd2586cf9461.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Mysak ER. Gentle photoionization of organic constituents using vacuum ultraviolet aerosol mass spectrometry. [Thesis]. University of North Carolina; 2006. Available from: https://cdr.lib.unc.edu/record/uuid:65f20167-9b13-47a8-a19d-dd2586cf9461

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

University of North Carolina

6. Choi, Myong Yong. Infrared laser spectroscopy of isolated biomolecules in superfluid helium nanodroplets.

Degree: Chemistry, 2006, University of North Carolina

URL: https://cdr.lib.unc.edu/record/uuid:eee1ed4b-81e0-4195-9313-582090b7d33f

► The focus of this thesis is the identification and structural characterization of iso- lated biomolecules in superfluid helium nanodroplets. We have recently developed structural tools… (more)

Subjects/Keywords: College of Arts and Sciences; Department of Chemistry

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APA (6^th Edition):

Choi, M. Y. (2006). Infrared laser spectroscopy of isolated biomolecules in superfluid helium nanodroplets. (Thesis). University of North Carolina. Retrieved from https://cdr.lib.unc.edu/record/uuid:eee1ed4b-81e0-4195-9313-582090b7d33f

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16^th Edition):

Choi, Myong Yong. “Infrared laser spectroscopy of isolated biomolecules in superfluid helium nanodroplets.” 2006. Thesis, University of North Carolina. Accessed January 16, 2021. https://cdr.lib.unc.edu/record/uuid:eee1ed4b-81e0-4195-9313-582090b7d33f.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7^th Edition):

Choi, Myong Yong. “Infrared laser spectroscopy of isolated biomolecules in superfluid helium nanodroplets.” 2006. Web. 16 Jan 2021.

Vancouver:

Choi MY. Infrared laser spectroscopy of isolated biomolecules in superfluid helium nanodroplets. [Internet] [Thesis]. University of North Carolina; 2006. [cited 2021 Jan 16]. Available from: https://cdr.lib.unc.edu/record/uuid:eee1ed4b-81e0-4195-9313-582090b7d33f.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Choi MY. Infrared laser spectroscopy of isolated biomolecules in superfluid helium nanodroplets. [Thesis]. University of North Carolina; 2006. Available from: https://cdr.lib.unc.edu/record/uuid:eee1ed4b-81e0-4195-9313-582090b7d33f

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

University of North Carolina

7. Nash, David Gerald. The application of low energy photon ionization to heterogeneous aerosol chemistry.

Degree: Chemistry, 2006, University of North Carolina

URL: https://cdr.lib.unc.edu/record/uuid:07d88d16-dcfd-4351-87b5-1eca760b1da7

► The first part of this dissertation is a review of developments made in the field of aerosol mass spectrometry. The focus of the research is… (more)

Subjects/Keywords: College of Arts and Sciences; Department of Chemistry

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APA (6^th Edition):

Nash, D. G. (2006). The application of low energy photon ionization to heterogeneous aerosol chemistry. (Thesis). University of North Carolina. Retrieved from https://cdr.lib.unc.edu/record/uuid:07d88d16-dcfd-4351-87b5-1eca760b1da7

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16^th Edition):

Nash, David Gerald. “The application of low energy photon ionization to heterogeneous aerosol chemistry.” 2006. Thesis, University of North Carolina. Accessed January 16, 2021. https://cdr.lib.unc.edu/record/uuid:07d88d16-dcfd-4351-87b5-1eca760b1da7.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7^th Edition):

Nash, David Gerald. “The application of low energy photon ionization to heterogeneous aerosol chemistry.” 2006. Web. 16 Jan 2021.

Vancouver:

Nash DG. The application of low energy photon ionization to heterogeneous aerosol chemistry. [Internet] [Thesis]. University of North Carolina; 2006. [cited 2021 Jan 16]. Available from: https://cdr.lib.unc.edu/record/uuid:07d88d16-dcfd-4351-87b5-1eca760b1da7.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Nash DG. The application of low energy photon ionization to heterogeneous aerosol chemistry. [Thesis]. University of North Carolina; 2006. Available from: https://cdr.lib.unc.edu/record/uuid:07d88d16-dcfd-4351-87b5-1eca760b1da7

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

University of North Carolina

8. Merritt, Jeremy Miles. Spectroscopic probes of reactive potential energy surfaces.

Degree: Chemistry, 2006, University of North Carolina

URL: https://cdr.lib.unc.edu/record/uuid:42bdc727-c541-4463-938d-60dac50d46ee

► Free radicals play an important role in many important atmospheric and combustion reactions. Their study however, is often hampered due to their high reactivity, and… (more)

Subjects/Keywords: College of Arts and Sciences; Department of Chemistry

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APA (6^th Edition):

Merritt, J. M. (2006). Spectroscopic probes of reactive potential energy surfaces. (Thesis). University of North Carolina. Retrieved from https://cdr.lib.unc.edu/record/uuid:42bdc727-c541-4463-938d-60dac50d46ee

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16^th Edition):

Merritt, Jeremy Miles. “Spectroscopic probes of reactive potential energy surfaces.” 2006. Thesis, University of North Carolina. Accessed January 16, 2021. https://cdr.lib.unc.edu/record/uuid:42bdc727-c541-4463-938d-60dac50d46ee.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7^th Edition):

Merritt, Jeremy Miles. “Spectroscopic probes of reactive potential energy surfaces.” 2006. Web. 16 Jan 2021.

Vancouver:

Merritt JM. Spectroscopic probes of reactive potential energy surfaces. [Internet] [Thesis]. University of North Carolina; 2006. [cited 2021 Jan 16]. Available from: https://cdr.lib.unc.edu/record/uuid:42bdc727-c541-4463-938d-60dac50d46ee.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Merritt JM. Spectroscopic probes of reactive potential energy surfaces. [Thesis]. University of North Carolina; 2006. Available from: https://cdr.lib.unc.edu/record/uuid:42bdc727-c541-4463-938d-60dac50d46ee

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

University of North Carolina

9. Douberly, Gary E. Infrared laser spectroscopy of dopants in and on helium nanodroplets: rotational and vibrational dynamics.

Degree: Chemistry, 2006, University of North Carolina

URL: https://cdr.lib.unc.edu/record/uuid:de05283e-d6e0-4367-9567-c7fa4a072f60

► The work presented in this thesis corresponds to the use of infrared lasers to probe the rotational, vibrational, and solvation dynamics of molecules and molecular… (more)

▼ The work presented in this thesis corresponds to the use of infrared lasers to probe the rotational, vibrational, and solvation dynamics of molecules and molecular clusters embedded in liquid helium droplets. The formation of clusters of hydrogen fluoride (HFn, n _ 3) provides a compelling example of the unique cluster growth process that occurs when single HF molecules are sequentially added to a helium droplet. From the infrared spectrum in the H-F stretching region, it is apparent that the cold, liquid helium environment quenches the condensation energy so rapidly that the fifth HF molecule is kinetically trapped behind the small barrier to insertion into the cold, preformed tetramer ring. The energy available to the metastable "4+1" cluster is insufficient to surmount the barrier to the lower energy cyclic pentamer. The isomerization dynamics of solvated molecular complexes are studied with infraredinfrared double resonance spectroscopy, consisting of two infrared lasers used in a pumpprobe configuration. Binary systems with two minima on their potential surfaces are chosen such that the vibrationally excited state energy is larger than both the isomerization barrier and the dissociation energy. One of two possible isomers is vibrationally excited. After the absorption of the first infrared photon, the cold helium heat bath removes the excited vibrational energy on a time scale that is fast in comparison to the droplet flight time between the upstream pump and downstream probe laser interaction iv regions. The probe laser is tuned through the vibrational bands of the two isomers, and a negative (positive) signal in the double resonance spectrum corresponds to a reduction (increase) in the population of the probed isomer. We observe photo-induced isomerization of the binary HCN-HF, HF-N2O, and HCN-HCCH complexes, while the two isomers of HCN-HCCCN do not isomerize. The results are rationalized in terms of the ab initio intermolecular potentials. When photo-induced isomerization is observed, the downstream population ratios are observed to be strongly dependent on the identity of the upstream isomer and the excited vibrational mode. These observations provide strong clues regarding the mechanisms of the vibrational relaxation processes occurring for molecular complexes solvated in liquid helium droplets. Advisors/Committee Members: Douberly, Gary E., Baer, Tomas, University of North Carolina at Chapel Hill.

Subjects/Keywords: College of Arts and Sciences; Department of Chemistry

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APA (6^th Edition):

Douberly, G. E. (2006). Infrared laser spectroscopy of dopants in and on helium nanodroplets: rotational and vibrational dynamics. (Thesis). University of North Carolina. Retrieved from https://cdr.lib.unc.edu/record/uuid:de05283e-d6e0-4367-9567-c7fa4a072f60

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16^th Edition):

Douberly, Gary E. “Infrared laser spectroscopy of dopants in and on helium nanodroplets: rotational and vibrational dynamics.” 2006. Thesis, University of North Carolina. Accessed January 16, 2021. https://cdr.lib.unc.edu/record/uuid:de05283e-d6e0-4367-9567-c7fa4a072f60.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7^th Edition):

Douberly, Gary E. “Infrared laser spectroscopy of dopants in and on helium nanodroplets: rotational and vibrational dynamics.” 2006. Web. 16 Jan 2021.

Vancouver:

Douberly GE. Infrared laser spectroscopy of dopants in and on helium nanodroplets: rotational and vibrational dynamics. [Internet] [Thesis]. University of North Carolina; 2006. [cited 2021 Jan 16]. Available from: https://cdr.lib.unc.edu/record/uuid:de05283e-d6e0-4367-9567-c7fa4a072f60.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Douberly GE. Infrared laser spectroscopy of dopants in and on helium nanodroplets: rotational and vibrational dynamics. [Thesis]. University of North Carolina; 2006. Available from: https://cdr.lib.unc.edu/record/uuid:de05283e-d6e0-4367-9567-c7fa4a072f60

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

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