Spectra and structure of organophosphorus compounds. LXI. The structures of trans and gauche ethyldifluorophosphine

Authors
Durig, JR Galabov, B Johnson, RD Groner, P
Citation
Jr. Durig et al., Spectra and structure of organophosphorus compounds. LXI. The structures of trans and gauche ethyldifluorophosphine, J MOL STRUC, 477(1-3), 1999, pp. 241-249
Citations number
14
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF MOLECULAR STRUCTURE
ISSN journal
00222860 → ACNP
Volume
477
Issue
1-3
Year of publication
1999
Pages
241 - 249
Database
ISI
SICI code
0022-2860(19990316)477:1-3<241:SASOOC>2.0.ZU;2-Y
Abstract
The microwave spectra of several C-13- and D-substituted species of both co nformers of ethyldifluorophosphine were recorded and analyzed. Almost compl ete to structures were derived for the trans and gauche forms from the rota tional constants of 4 and 7 isotopomers, respectively. The CCP bond angle c hanges from 111.1(3)degrees for the gauche conformer to 116.6(4)degrees in the trans conformer. The r(0) structures are compared with each other and t o the optimized structures from recent ab initio calculations. (C) 1999 Els evier Science B.V. All rights reserved.