In-depth analysis of conformational changes in small ring molecules /.

Bibliographic Details
Main Author: Cooke, Joel Midleton
Other Authors: Hodges, R. M. (degree committee member.), Meyers, E. A. (degree committee member.), Naugle, N. W. (degree committee member.)
Format: Thesis Book
Language:English
Published: [College Station, Tex.] : Cooke, 1979.
Subjects:
Online Access:Link to ProQuest copy
Link to OAKTrust copy

MARC

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049 |a TXAM 
100 1 |a Cooke, Joel Midleton. 
245 1 0 |a In-depth analysis of conformational changes in small ring molecules /. 
264 1 |a [College Station, Tex.] :  |b Cooke,  |c 1979. 
300 |a xv, 187 leaves :  |b illustrations ;  |c 29 cm 
336 |a text  |b txt  |2 rdacontent 
337 |a unmediated  |b n  |2 rdamedia 
338 |a volume  |b nc  |2 rdacarrier 
500 |a "Major subject: Chemistry." 
500 |a Vita. 
502 |c Texas A & M University 
504 |a Includes bibliographical references (leaves 175-180). 
520 3 |a In an attempt to determine the forces responsible for the conformations of small ring molecules the spectra of a series of ring molecules have been recorded and analyzed. Theoretical calculations were carried out to determine the importance of subtle effects of the Hamiltonian. 1,3-Disilacyclobutane is an example of a four-membered ring molecule. The low-frequency far-infrared and Raman spectra of 1,3-disilacyclobtane exhibit a series of transitions that are characteristic of the ring-puckering vibration. The motion of 1,3-disilacyclobutane during the ring-puckering vibration was investigated by a one-dimensional analysis of the ring-puckering data for isotopically related disilacyclobutanes. The ring-puckering data was analyzed by the inclusion of kinetic energy expansions in the Hamiltonian. The expansions were calculated for a basic bisector model in which varying amounts of SiH2 rocking were included. The inclusion of kinetic energy expansions improved the fit between the observed and calculated frequencies. The model in which rocking was included fit the data better than the model in which rocking was not allowed... 
650 0 |a Molecular dynamics  |x Analysis. 
650 0 |a Molecular theory.  |0 http://id.loc.gov/authorities/subjects/sh85086595 
650 4 |a Major chemistry. 
655 7 |a Academic theses.  |2 lcgft  |0 http://id.loc.gov/authorities/genreForms/gf2014026039 
700 1 |a Hodges, R. M.,  |e degree committee member. 
700 1 |a Laane, Jaan,  |e degree supervisor.  |0 http://id.loc.gov/authorities/names/n93051950 
700 1 |a Meyers, E. A.,  |e degree committee member. 
700 1 |a Naugle, N. W.,  |e degree committee member. 
710 2 |a Texas A & M University,  |e degree granting institution.  |0 http://id.loc.gov/authorities/names/n80125885 
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