東華大學圖書館 |

Language: English

Help

回圖書館首頁

手機版館藏查詢

Back

Switch To: Labeled | MARC Mode | ISBD

Conformational and structural invest...

Deodhar, Bhushan Shripad.

Linked to FindBook

Google Book

Amazon

博客來

Conformational and structural investigation of substituted hydrocarbons and ring compounds by vibrational and microwave spectroscopy.

Record Type:	Electronic resources : Monograph/item
Title/Author:	Conformational and structural investigation of substituted hydrocarbons and ring compounds by vibrational and microwave spectroscopy./
Author:	Deodhar, Bhushan Shripad.
Description:	408 p.
Notes:	Source: Dissertation Abstracts International, Volume: 77-07(E), Section: B.
Contained By:	Dissertation Abstracts International77-07B(E).
Subject:	Organic chemistry. -
Online resource:	http://pqdd.sinica.edu.tw/twdaoapp/servlet/advanced?query=10018912
ISBN:	9781339508924

Conformational and structural investigation of substituted hydrocarbons and ring compounds by vibrational and microwave spectroscopy.
Deodhar, Bhushan Shripad.

Conformational and structural investigation of substituted hydrocarbons and ring compounds by vibrational and microwave spectroscopy. - 408 p.

Source: Dissertation Abstracts International, Volume: 77-07(E), Section: B.

Thesis (Ph.D.)--University of Missouri - Kansas City, 2016.

The physiochemical properties of a molecule of interest are usually obtained from its molecular structure, and it involves the orientation of one part of the molecule about a particular bond with respect to the rest of the molecule. These properties depend mainly upon the three-dimensional arrangement of one part of the molecule in space with respect to the other and, additionally, the way the molecule will react chemically and its available reaction pathways are often critically dependent upon the orientation of the reactant molecule. The energy differences of various conformations generally strongly couple or interact by way of nonbonded interactions which even though are individually too weak to determine, any single geometric feature may nevertheless act together to uniquely determine the spatial structures of large and complicated molecules such as proteins and DNA. Therefore, conformational analysis can lead to significant improvement in the understanding of more complex system.

ISBN: 9781339508924Subjects--Topical Terms:

523952
Organic chemistry.

Conformational and structural investigation of substituted hydrocarbons and ring compounds by vibrational and microwave spectroscopy.
LDR:03246nmm a2200277 4500 001 2078524
005 20161129073659.5
008 170521s2016 ||||||||||||||||| ||eng d
020 $a 9781339508924
035 $a (MiAaPQ)AAI10018912
035 $a AAI10018912
040 $a MiAaPQ $c MiAaPQ
100 1 $a Deodhar, Bhushan Shripad. $3 3194116
245 1 0 $a Conformational and structural investigation of substituted hydrocarbons and ring compounds by vibrational and microwave spectroscopy.
300 $a 408 p.
500 $a Source: Dissertation Abstracts International, Volume: 77-07(E), Section: B.
500 $a Adviser: James R. Durig.
502 $a Thesis (Ph.D.)--University of Missouri - Kansas City, 2016.
520 $a The physiochemical properties of a molecule of interest are usually obtained from its molecular structure, and it involves the orientation of one part of the molecule about a particular bond with respect to the rest of the molecule. These properties depend mainly upon the three-dimensional arrangement of one part of the molecule in space with respect to the other and, additionally, the way the molecule will react chemically and its available reaction pathways are often critically dependent upon the orientation of the reactant molecule. The energy differences of various conformations generally strongly couple or interact by way of nonbonded interactions which even though are individually too weak to determine, any single geometric feature may nevertheless act together to uniquely determine the spatial structures of large and complicated molecules such as proteins and DNA. Therefore, conformational analysis can lead to significant improvement in the understanding of more complex system.
520 $a The infrared (3100-40 cm-1) and Raman spectra (3200-20 cm-1) of a number of substituted (thiol, isocyanide, cyanide, acetylchloride, silane, amine, and phosphine) ring and straight chain molecules were recorded in the gaseous, liquid and solid phases. Additionally, variable temperature studies of the infrared spectra of the sample dissolved in xenon has been carried out. From these spectral data, the possible stable conformers have been identified and the enthalpy differences are given among the various forms for each molecule. By utilizing microwave determined rotational constants for the isotopomer(s) combined with the structural parameters predicted from the MP2(full)/6-311+G(d,p) calculations, adjusted r0 structural parameters have been obtained for the stable forms of some molecules. Complete vibrational assignments are proposed for the stable conformers of each molecule. To support the vibrational assignments, normal coordinate calculations with scaled force constants from MP2(full)/6-31G(d) calculations were carried out to predict the fundamental vibrational frequencies, infrared intensities, Raman activities, depolarization values and infrared band contours. The results will be discussed and compared to the corresponding properties of some analogous molecules wherever possible.
590 $a School code: 0134.
650 4 $a Organic chemistry. $3 523952
690 $a 0490
710 2 $a University of Missouri - Kansas City. $b Chemistry. $3 3182530
773 0 $t Dissertation Abstracts International $g 77-07B(E).
790 $a 0134
791 $a Ph.D.
792 $a 2016
793 $a English
856 4 0 $u http://pqdd.sinica.edu.tw/twdaoapp/servlet/advanced?query=10018912