The Carbon Mainframe Structure of cis-trans-1,3-difluoroacetone

Author

Garry S. Grubbs, Missouri University of Science and TechnologyFollow

Abstract

The carbon-13 backbone structure of 1,3-difluoroacetone has been obtained and reported for the first time. This was achieved through the collection of singly substituted ¹³C isotopologue rotational spectra at each carbon position. The rotational constants for each isotopologue have been determined and are reported for the first time. Kraitchman coordinates and second moment analysis verify the structure determined by previous literature studies and are presented

Recommended Citation

G. S. Grubbs, "The Carbon Mainframe Structure of cis-trans-1,3-difluoroacetone," Journal of Molecular Structure, vol. 1128, pp. 263 - 267, Elsevier, Jan 2017.

The definitive version is available at https://doi.org/10.1016/j.molstruc.2016.08.073

Department(s)

Chemistry

Research Center/Lab(s)

Center for High Performance Computing Research

Keywords and Phrases

Molecular Structure; Structure (Composition); 1,3-Difluoroacetone; Backbone Structures; CP-FTMW; Isotopologues; Literature Studies; Rotational Constants; Rotational Spectra; Rotational Spectroscopy; Microwave Spectroscopy

International Standard Serial Number (ISSN)

0022-2860

Document Type

Article - Journal

Document Version

Citation

File Type

text

Language(s)

English

Rights

© 2017 Elsevier, All rights reserved.

Publication Date

01 Jan 2017