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You searched for subject:(naphthalocyanine). Showing records 1 – 2 of 2 total matches.

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University of Arizona

1. Steele, Mary P. Interfacial Electronic Structure of Dipolar Vanadyl Naphthalocyanine Thin Films .

Degree: 2011, University of Arizona

The studies presented in this work are aimed towards a better understanding of the fundamental physics of the electrode/organic molecule interface in both the ground and excited state manifolds. Systematic investigations of single systems using two-photon photoemission (TPPE) and ultraviolet photoelectron spectroscopy (UPS) were undertaken in order to assess the evolution of the electronic structure and molecular organization at the interface. The adsorbate molecule vanadyl naphthalocyanine (VONc) was used whose properties are well-suited to this purpose. Interfacial electronic states of thin films of VONc were studied with two different substrates: highly ordered pyrolytic graphite (HOPG) and Au(111).The substrate of HOPG is a surface which does not possess reactive dangling bonds and the electron density close to the Fermi edge is very low, permitting high resolution spectroscopic band analysis of VONc and revealing subtle changes to the electronic structure. From interfacial studies of this weakly interacting substrate/ adsorbate system, it is shown in this work that molecular electronic levels in both the ground and excited state manifolds can shift independently of the vacuum level. Further, electron transfer between close lying electron donor and acceptor energy levels may be influenced by energy level shifts caused by depolarization effects as a function of dipole density.The VONc/Au(111) interface is investigated in order to examine energy level alignment in a system with the additional complexity of molecule/substrate interactions. The electron rich Au(111) surface leads to a strong interface dipole upon addition of VONc. Joint experimental and computational data is presented showing that the underlying cause of this interface dipole is Pauli repulsion. Additionally, investigations of energy level alignment in the excited state manifold are presented and the possibility of quantum interference is discussed.The interfacial electronic structure is quite different among these two model systems. The interfacial alignment observed in the HOPG/VONc system was largely due to depolarization of the intrinsic molecular dipole as a function of density, whereas the Au(111)/VONc interface is dominated by interfacial Pauli repulsion interactions. Advisors/Committee Members: Monti, Oliver L. A (advisor), Brown, Michael F. (committeemember).

Subjects/Keywords: interface; naphthalocyanine; two-photon photoemission; ultraviolet photoelectron spectroscopy; Chemistry; Au(111); HOPG

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APA (6th Edition):

Steele, M. P. (2011). Interfacial Electronic Structure of Dipolar Vanadyl Naphthalocyanine Thin Films . (Doctoral Dissertation). University of Arizona. Retrieved from http://hdl.handle.net/10150/203477

Chicago Manual of Style (16th Edition):

Steele, Mary P. “Interfacial Electronic Structure of Dipolar Vanadyl Naphthalocyanine Thin Films .” 2011. Doctoral Dissertation, University of Arizona. Accessed November 19, 2017. http://hdl.handle.net/10150/203477.

MLA Handbook (7th Edition):

Steele, Mary P. “Interfacial Electronic Structure of Dipolar Vanadyl Naphthalocyanine Thin Films .” 2011. Web. 19 Nov 2017.

Vancouver:

Steele MP. Interfacial Electronic Structure of Dipolar Vanadyl Naphthalocyanine Thin Films . [Internet] [Doctoral dissertation]. University of Arizona; 2011. [cited 2017 Nov 19]. Available from: http://hdl.handle.net/10150/203477.

Council of Science Editors:

Steele MP. Interfacial Electronic Structure of Dipolar Vanadyl Naphthalocyanine Thin Films . [Doctoral Dissertation]. University of Arizona; 2011. Available from: http://hdl.handle.net/10150/203477

2. Sturtz, Benjamin Walden. Synthesis and Structural Chemistry of Diamagnetic Dimeric Metal Phthalocyanines.

Degree: PhD, Chemistry, 2017, Case Western Reserve University

Synthesis and Structural Chemistry of Diamagnetic Dimeric Metal PhthalocyaninesAbstractbyBENJAMIN WALDEN STURTZ Syntheses have been developed for 18 new, cofacial, oxygen-bridged, metal phthalocyanine dimers: Me3SiO[SiPcO]2SiMe3, Et3SiO[SiPcO]2SiEt3, Pr3SiO[SiPcO]2SiPr3, PrMe2SiO[SiPcO]2SiMe2Pr, BuMe2SiO[SiPcO]2SiMe2Bu, (i-Bu)3SiO[SiPcO]2Si(i-Bu)3, ThMe2SiO[SiPcO]2SiMe2Th, OdMe2SiO[SiPcO]2SiMe2Od, Ph3SiO[SiPcO]2SiPh3, Ph3SiO[Si0.75Ge0.25PcOSiPcO]SiPh3, Hx3SiO[SiPcOGePcO]SiHx3, Hx3SiO[SiPcOGePcO]SiPh3, Et3SiO[GePcO]2SiEt3, BuMe2SiO[GePcO]2SiMe2Bu, (i-Bu)3SiO[GePcO]2Si(i-Bu)3, Hx3SiO[GePcO]2SiHx3, Ph3SiO[GePcO]2SiPh3, and [GaPc]2O. The structures of these dimers have been determined by single-crystal X-ray crystallography. From the structure data gathered, the distances between the metal centers, the distances between the phthalocyanine ring centroids, and the torsion angles between the phthalocyanines rings have been extracted. The results lead to the conclusion that for centroid-centroid distances of approximately 3.30 Å to 3.40 Å the torsion angles are governed by long distance bonding interactions, LDIs. For distances of approximately 3.40 Å to 3.60 Å the angles are governed by the results of a competition between long distance bonding interactions and crystal packing forces, and for distances above approximately 3.60 Å the angles are governed by crystal packing forces. The known centroid-centroid distance and torsion angle of the cofacial polymer [GaPcF]n further support the governance of the torsion angles in cofacial phthalocyanine systems by a balance of LDI bonding and crystal packing forces. Exploratory structural work on HO[Si(OEP)O]2H and Od(i-Bu)2SiO[SiNcO]2Si(i-Bu)2Od has given data consistent with the existence of preferred torsion angles in these smaller and larger cofacial aromatic systems. Advisors/Committee Members: Kenney, Malcolm (Advisor), Zagorski, Michael (Committee Chair).

Subjects/Keywords: Chemistry; phthalocyanine; naphthalocyanine; octamethylporphyrin; octaethylporphyrin; aluminum; silicon; gallium; germanium; tin; scandium; dimer; crystal structure; ring-to-ring bonding; pigment; dye

…71 Silicon Naphthalocyanine Crystals… …151 CHAPTER 7. DIMER ISOMERS, A DIMER NAPHTHALOCYANINE, A DIMER PORPHYRIN AND A PUZZLE… …89 Scheme 17. Silicon Naphthalocyanine Crystals… …m/z mass to charge ratio n normal Nc naphthalocyanine NMR nuclear magnetic… 

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

APA (6th Edition):

Sturtz, B. W. (2017). Synthesis and Structural Chemistry of Diamagnetic Dimeric Metal Phthalocyanines. (Doctoral Dissertation). Case Western Reserve University. Retrieved from http://rave.ohiolink.edu/etdc/view?acc_num=case1496922051865658

Chicago Manual of Style (16th Edition):

Sturtz, Benjamin Walden. “Synthesis and Structural Chemistry of Diamagnetic Dimeric Metal Phthalocyanines.” 2017. Doctoral Dissertation, Case Western Reserve University. Accessed November 19, 2017. http://rave.ohiolink.edu/etdc/view?acc_num=case1496922051865658.

MLA Handbook (7th Edition):

Sturtz, Benjamin Walden. “Synthesis and Structural Chemistry of Diamagnetic Dimeric Metal Phthalocyanines.” 2017. Web. 19 Nov 2017.

Vancouver:

Sturtz BW. Synthesis and Structural Chemistry of Diamagnetic Dimeric Metal Phthalocyanines. [Internet] [Doctoral dissertation]. Case Western Reserve University; 2017. [cited 2017 Nov 19]. Available from: http://rave.ohiolink.edu/etdc/view?acc_num=case1496922051865658.

Council of Science Editors:

Sturtz BW. Synthesis and Structural Chemistry of Diamagnetic Dimeric Metal Phthalocyanines. [Doctoral Dissertation]. Case Western Reserve University; 2017. Available from: http://rave.ohiolink.edu/etdc/view?acc_num=case1496922051865658

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