Graduate Thesis Or Dissertation
 

Determination of barriers to internal rotation from low temperature heat capacity data

Público Deposited

Conteúdo disponível para baixar

Baixar PDF
https://ir.library.oregonstate.edu/concern/graduate_thesis_or_dissertations/mg74qp45z

Descriptions

Attribute NameValues
Creator
Abstract
  • A method by which barrier heights in potential functions hindering internal rotation in organic molecules can be obtained solely from thermal data for the solid phase is studied. The observed heat capacities are analyzed in terms of contributions from the lattice vibrations, the intramolecular vibrations, the expansion of the lattice, and the internal rotation. Five compounds are treated. These are mesitylene, toluene, benzenethiol, methanethiol, and trifluoromethanethiol, Calculations show that the barrier values are 540, 340, 280, 1650, and 1630 cal/mole for the respective molecules. It is shown that the potential barriers are in accord with barriers derived from gas phase entropy calculations and that the calculated and experimental heat capacities agree for the most part well within the expected limits. The precision of the low barriers is better than those determined from gas phase entropy calculations, while the high barrier values have about the same precision as gas phase entropy values.
Resource Type
Date Available
Date Issued
Degree Level
Degree Name
Degree Field
Degree Grantor
Commencement Year
Advisor
Academic Affiliation
Non-Academic Affiliation
Subject
Declaração de direitos
Publisher
Peer Reviewed
Language
Digitization Specifications
  • File scanned at 300 ppi using Capture Perfect 3.0 on a Canon DR-9050C in PDF format. CVista PdfCompressor 5.0 was used for pdf compression and textual OCR.
Replaces

Relações

Parents:

This work has no parents.

Em Collection:

Itens

Miniatura Título Data de carga Acesso Ações
file details SimpsonKennethO1967_Redacted.pdf 2017-08-07 Público Baixar