Thesis (M.S.)--University of Wisconsin--Madison, 1964. / eContent provider-neutral record in process. Description based on print version record. Bibliography: l. 77-82.

Thesis (Ph. D.)--Chemistry and Biochemistry, Georgia Institute of Technology, 2007. / Laren M. Tolbert, Committee Member ; Uzi Landman, Committee Member ; Nicholas V. Hud, Committee Member ; David M. Collard, Committee Member ; Gary B. Schuster, Committee Chair.

Thesis (Ph. D.)--Ohio State University, 2005. / Title from first page of PDF file. Document formatted into pages; contains xvi, 172 p.; also includes graphics (some col.). Includes bibliographical references (p. 160-172). Available online via OhioLINK's ETD Center

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Dissertação (mestrado) - Universidade Federal de Santa Catarina, Centro de Ciências Físicas e Matemáticas, Programa de Pós-Graduação em Química, Florianópolis, 2013 / Made available in DSpace on 2013-07-16T21:10:24Z (GMT). No. of bitstreams: 1 316877.pdf: 6249192 bytes, checksum: 8d85c008bedb049f65bf8c3955feb90f (MD5) / Estudou-se, através de métodos de química teórica, o efeito do substituinte na interação cátion-? em rutenofanos. Para isto investigou-se a estrutura eletrônica de uma série de nove complexos de fórmula geral [Ru(NH3)3(?6-C16H12R4)]2+: 1 (R1=R2=R3=R4=H), 2 (R1=R2=R3=R4=F), 3 (R1=R2=R3=R4=Cl), 4 (R1=R2=R3=R4=CN), 5 (R1=R2=R3=R4=CH3), 6 (R1=R4=NO2 e R2=R3=H), 7 (R1=R4=NH2 e R2=R3=H), 8 (R1=R4=OCH3 e R2=R3=H), 9 (R1=R2=R3=R4=H e carbono ipso protonado). A magnitude da interação cátion-? foi avaliada, bem como decomposta em suas diferentes componentes por meio da análise da decomposição de energia proposta por Su-Li no nível de teoria MP2/def2-TZVP. Observou-se que tais interações são principalmente covalentes em sua natureza, ao passo que a contribuição eletrostática é bastante significativa, sendo que os substituintes retiradores de elétrons enfraquecem a interação, já os doadores fortalecem as mesmas. Informações adicionais foram obtidas por meio de análises NBO, as quais revelam que as retrodoações, em especial aquelas do tipo 4d ? 2pz, são mais importantes sob uma perspectiva energética. Um estudo topológico sob a luz da teoria QTAIM sugere que as interações cátion-? nos rutenofanos estudados são consistentes com interações de camada fechada com propriedades que apontam para ligações coordenadas.

This paper describes the construction of a positive ion source of the electrodeless discharge type and may be divided into two main topis; (1) the radio frequency oscillator and power amplifier and associated power supply and (2) the ionization chamber.

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Yes / UV/Vis absorption and NMR spectroscopy titrations have been used to investigate the formation of complexes between cations and neutral H-bond acceptors in organic solvents. Complexes formed by two different H-bond acceptors with fifteen different cations were studied in acetone and in acetonitrile. The effects of water and ion pairing with the counter-anion were found to be negligible in the two polar solvents employed for this study. The data were used to determine self-consistent H-bond donor parameters (α) for a series of organic and inorganic cations; guanidinium, primary, tertiary and quaternary ammonium, imidazolium, methylpyridinium, lithium, sodium, potassium, rubidium and caesium. The results demonstrate the transferability of α parameters for cations between different solvents and different H-bond acceptor partners, allowing reliable prediction of cation recognition properties in different environments. Lithium and protonated nitrogen cations form the most stable complexes, but the α parameter is only 5.0, which is similar to the neutral H-bond donor 3-trifluoromethyl, 4-nitrophenol (α = 5.1). Quaternary ammonium is the weakest H-bond donor investigated with an α value of 2.7, which is comparable to an alcohol. The α parameters for alkali metal cations decrease down the group from 5.0 (Li+) to 3.5 (Cs+). / Financial support from the Engineering and Physical Sciences Research Council (EP/K025627/2) and Unilever

This document only includes an excerpt of the corresponding thesis or dissertation. To request a digital scan of the full text, please contact the Ruth Lilly Medical Library's Interlibrary Loan Department (rlmlill@iu.edu).

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