Accession Number : ADA182516

Title :   Torsional Motion in Aromatic Molecules. Conformational Analysis of Methyl-, Ethyl, and n-Propylbenzenes.

Descriptive Note : Technical rept.,

Corporate Author : COLORADO STATE UNIV FORT COLLINS DEPT OF CHEMISTRY

Personal Author(s) : Breen,P J ; Warren,J A ; Bernstein,E R ; Seeman,J I

PDF Url : ADA182516

Report Date : May 1987

Pagination or Media Count : 12

Abstract : Supersonic molecular jet spectroscopy is used to obtain information on the torsional motion in methyl, ethyl and n propyl substituted benzenes. Dispersed emission and time of flight mass spectral results are evaluated for toluene, the three xylenes, diethylbenzene and normal propyltoluene. The aromatic ring methyl groups in meta and paraxylene can be considered as independent free rotors while in o-xylene they are considerably more hindered in these two states and cross kinetic and potential terms must be introduced. The two conformations of diethylbenzene (syn and anti, with the ethyl groups perpendicular to the plane of the benzene ring) and the three conformations of the propyl group in propyltoluene (anti, syn-gauche and anti-gauche) are observed.

Descriptors :   *BENZENE, *MOLECULAR VIBRATION, MOLECULAR SPECTROSCOPY, CHEMICAL BONDS, ROTATION(CHEMICAL BONDS), MOLECULAR ISOMERISM, STEREOCHEMISTRY, ISOMERIC TRANSITIONS, MOLECULAR STRUCTURE, AROMATIC COMPOUNDS, DISPERSING, EMISSION, ETHYL RADICALS, FLIGHT, MASS, METHYL RADICALS, MOLECULES, MOTION, PROPYL RADICALS, RINGS, ROTORS, SUBSTITUTES, TIME, TOLUENES, TORSION, XYLENES

Subject Categories : Atomic and Molecular Physics and Spectroscopy
      Organic Chemistry

Distribution Statement : APPROVED FOR PUBLIC RELEASE