Files in this item

FilesDescriptionFormat

application/pdf

application/pdf4475.pdf (231kB)
AbstractPDF

Description

Title:DETERMINING THE STRUCTURE OF 2-BROMO-1,1,1,2-TETRAFLUOROETHANE THROUGH RUDOLPH'S DOUBLE SUBSTITUTION METHOD
Author(s):Isert, Joshua E.
Contributor(s):Grubbs II, G. S.; Bailey, William C.; Marshall, Frank E
Subject(s):Structure determination
Abstract:\begin{wrapfigure}{r}{0pt} \includegraphics[scale=0.07]{calcstructureabplane.eps} \end{wrapfigure} In a talk at the 74th Annual ISMS, the structure that had determined through traditional rotational spectroscopy utilizing CP-FTMW techniques for the title molecule was presented. Based on questions received at this presentation, it was decided that the structure needed to be better refined to resolve issues with the bond lengths found using Kraitchman's Single Substitution method. In order to achieve this goal, H.D. Rudolph's Double Substitution method was utilized. This presentation will describe what went wrong when using Kraitchman's substitution, and how Rudolph's method could be adapted for future structure determinations involving complex coordinates.
Issue Date:24-Jun-20
Publisher:International Symposium on Molecular Spectroscopy
Citation Info:APS
Genre:CONFERENCE PAPER/PRESENTATION
Type:Text
Language:English
URI:http://hdl.handle.net/2142/107400
Date Available in IDEALS:2020-06-26


This item appears in the following Collection(s)

Item Statistics