Rotational Spectroscopy and Structures of Organometallic Compounds

Persistent Link:
http://hdl.handle.net/10150/193621
Title:
Rotational Spectroscopy and Structures of Organometallic Compounds
Author:
Karunatilaka, Chandana
Issue Date:
2007
Publisher:
The University of Arizona.
Rights:
Copyright © is held by the author. Digital access to this material is made possible by the University Libraries, University of Arizona. Further transmission, reproduction or presentation (such as public display or performance) of protected items is prohibited except with permission of the author.
Abstract:
High-resolution pulsed beam Fourier Transform Microwave Spectroscopy (PBFTMS) technique has been used to investigate the rotational spectra, molecular structures and electronic charge distribution of organometallic and organic molecules. The thesis reports high-resolution rotational spectral findings for nine different asymmetric-top molecules in the singlet electronic ground state including: Cyclopentadienyltungstentricarbonylhydride, Bis-(cyclopentadienyl)tungstendihydride, Tetracarbonylethyleneosmium, two substituted Ferrocenes and an organic keto-enol tautomeric system, Z-2-Hydroxypyridine and 2-Pyridone. Moreover, gas-phase rotational constants and distortion constants have also been reported for an excited vibrational state of Cyclopentadienylnickelnitrosyl complex using a high-resolution Fourier Transform Spectrometer (FTS) system at Kitt Peak Arizona, (KPNO). Preliminary microwave results for a fluxional molecule, Cyclopentadienyliridiumdicarbonyl are also presented in this work. Extensive Density Functional Theory (DFT) calculations have been performed in conjunction with the experiments to provide additional insight toward further understanding the equilibrium structures, structural isomers and electric field distributions of these molecules. These calculations were not only helpful in predicting the preliminary structure and rotational constants of the molecules of interest, but also advantageous in analyzing the observed spectra.
Type:
text; Electronic Dissertation
Keywords:
Microwave Spectroscopy; Rotational Spectra; Organometallic Compounds; Transition Metal Complexes
Degree Name:
PhD
Degree Level:
doctoral
Degree Program:
Chemistry; Graduate College
Degree Grantor:
University of Arizona
Advisor:
Kukolich, Stephen G.
Committee Chair:
Kukolich, Stephen G.

Full metadata record

DC FieldValue Language
dc.language.isoENen_US
dc.titleRotational Spectroscopy and Structures of Organometallic Compoundsen_US
dc.creatorKarunatilaka, Chandanaen_US
dc.contributor.authorKarunatilaka, Chandanaen_US
dc.date.issued2007en_US
dc.publisherThe University of Arizona.en_US
dc.rightsCopyright © is held by the author. Digital access to this material is made possible by the University Libraries, University of Arizona. Further transmission, reproduction or presentation (such as public display or performance) of protected items is prohibited except with permission of the author.en_US
dc.description.abstractHigh-resolution pulsed beam Fourier Transform Microwave Spectroscopy (PBFTMS) technique has been used to investigate the rotational spectra, molecular structures and electronic charge distribution of organometallic and organic molecules. The thesis reports high-resolution rotational spectral findings for nine different asymmetric-top molecules in the singlet electronic ground state including: Cyclopentadienyltungstentricarbonylhydride, Bis-(cyclopentadienyl)tungstendihydride, Tetracarbonylethyleneosmium, two substituted Ferrocenes and an organic keto-enol tautomeric system, Z-2-Hydroxypyridine and 2-Pyridone. Moreover, gas-phase rotational constants and distortion constants have also been reported for an excited vibrational state of Cyclopentadienylnickelnitrosyl complex using a high-resolution Fourier Transform Spectrometer (FTS) system at Kitt Peak Arizona, (KPNO). Preliminary microwave results for a fluxional molecule, Cyclopentadienyliridiumdicarbonyl are also presented in this work. Extensive Density Functional Theory (DFT) calculations have been performed in conjunction with the experiments to provide additional insight toward further understanding the equilibrium structures, structural isomers and electric field distributions of these molecules. These calculations were not only helpful in predicting the preliminary structure and rotational constants of the molecules of interest, but also advantageous in analyzing the observed spectra.en_US
dc.typetexten_US
dc.typeElectronic Dissertationen_US
dc.subjectMicrowave Spectroscopyen_US
dc.subjectRotational Spectraen_US
dc.subjectOrganometallic Compoundsen_US
dc.subjectTransition Metal Complexesen_US
thesis.degree.namePhDen_US
thesis.degree.leveldoctoralen_US
thesis.degree.disciplineChemistryen_US
thesis.degree.disciplineGraduate Collegeen_US
thesis.degree.grantorUniversity of Arizonaen_US
dc.contributor.advisorKukolich, Stephen G.en_US
dc.contributor.chairKukolich, Stephen G.en_US
dc.contributor.committeememberZiurys, Lucy M.en_US
dc.contributor.committeememberSanov, Andreien_US
dc.contributor.committeememberMiranda, Katrina M.en_US
dc.contributor.committeememberZheng, Zhipingen_US
dc.identifier.proquest2063en_US
dc.identifier.oclc659747138en_US
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