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Rotational Spectroscopy and Gas Phas...

Zhou, Zunwu.

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Rotational Spectroscopy and Gas Phase Structures of Hydrogen Bonded Dimers, Organometallic Complexes and Other Molecules.

Record Type:	Electronic resources : Monograph/item
Title/Author:	Rotational Spectroscopy and Gas Phase Structures of Hydrogen Bonded Dimers, Organometallic Complexes and Other Molecules./
Author:	Zhou, Zunwu.
Published:	Ann Arbor : ProQuest Dissertations & Theses, : 2021,
Description:	228 p.
Notes:	Source: Dissertations Abstracts International, Volume: 82-11, Section: B.
Contained By:	Dissertations Abstracts International82-11B.
Subject:	Chemistry. -
Online resource:	https://pqdd.sinica.edu.tw/twdaoapp/servlet/advanced?query=28414809
ISBN:	9798728271185

Rotational Spectroscopy and Gas Phase Structures of Hydrogen Bonded Dimers, Organometallic Complexes and Other Molecules.
Zhou, Zunwu.

Rotational Spectroscopy and Gas Phase Structures of Hydrogen Bonded Dimers, Organometallic Complexes and Other Molecules. - Ann Arbor : ProQuest Dissertations & Theses, 2021 - 228 p.

Source: Dissertations Abstracts International, Volume: 82-11, Section: B.

Thesis (Ph.D.)--The University of Arizona, 2021.

This item must not be sold to any third party vendors.

This dissertation focuses on the structural investigation of gas phase organometallic complexes, hydrogen-bonded dimers and other organic molecules through the use of pulsed-beam Fourier transform microwave spectroscopy technique and high-level computational methods. High-resolution microwave spectra and important structural parameters such as rotational constants and quadrupole coupling constants were measured and obtained for organometallic molecules ferrocene carboxylic acid and methyl manganese pentacarbonyl, organic molecules 1-chloroborepin, phenylpropiolic acid and 2-aminopyridine, as well as hydrogen bonded dimer formamidinium formate. These studies have produced new important information for these molecules in regard to their gas phase structures, conformational behaviors, electronic charge distributions, chemical bonding and reactivity. Theoretical computations using Density Functional Theory (DFT) and ab initio methods were carried out to obtain optimized electronic structures of the molecules studied. The theoretical structures and parameters derived facilitated the scanning and assignment of rotational transitions. In addition, the comparisons between theoretically computed and experimentally determined structural parameters provide insights for structural determination of the molecules and other important molecular properties.

ISBN: 9798728271185Subjects--Topical Terms:

516420
Chemistry.
Subjects--Index Terms:

Chemistry

Rotational Spectroscopy and Gas Phase Structures of Hydrogen Bonded Dimers, Organometallic Complexes and Other Molecules.
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245 1 0 $a Rotational Spectroscopy and Gas Phase Structures of Hydrogen Bonded Dimers, Organometallic Complexes and Other Molecules.
260 1 $a Ann Arbor : $b ProQuest Dissertations & Theses, $c 2021
300 $a 228 p.
500 $a Source: Dissertations Abstracts International, Volume: 82-11, Section: B.
500 $a Advisor: Kukolich, Stephen G.
502 $a Thesis (Ph.D.)--The University of Arizona, 2021.
506 $a This item must not be sold to any third party vendors.
520 $a This dissertation focuses on the structural investigation of gas phase organometallic complexes, hydrogen-bonded dimers and other organic molecules through the use of pulsed-beam Fourier transform microwave spectroscopy technique and high-level computational methods. High-resolution microwave spectra and important structural parameters such as rotational constants and quadrupole coupling constants were measured and obtained for organometallic molecules ferrocene carboxylic acid and methyl manganese pentacarbonyl, organic molecules 1-chloroborepin, phenylpropiolic acid and 2-aminopyridine, as well as hydrogen bonded dimer formamidinium formate. These studies have produced new important information for these molecules in regard to their gas phase structures, conformational behaviors, electronic charge distributions, chemical bonding and reactivity. Theoretical computations using Density Functional Theory (DFT) and ab initio methods were carried out to obtain optimized electronic structures of the molecules studied. The theoretical structures and parameters derived facilitated the scanning and assignment of rotational transitions. In addition, the comparisons between theoretically computed and experimentally determined structural parameters provide insights for structural determination of the molecules and other important molecular properties.
590 $a School code: 0009.
650 4 $a Chemistry. $3 516420
650 4 $a Physical chemistry. $3 1981412
650 4 $a Inorganic chemistry. $3 3173556
653 $a Chemistry
653 $a Computational chemistry
653 $a Inorganic chemistry
653 $a Microwave spectroscopy
653 $a Physical chemistry
653 $a Spectroscopy
690 $a 0485
690 $a 0494
690 $a 0488
710 2 $a The University of Arizona. $b Chemistry. $3 1035937
773 0 $t Dissertations Abstracts International $g 82-11B.
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791 $a Ph.D.
792 $a 2021
793 $a English
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