Molecular structures of vinylarsine, vinyldichloroarsine and arsine studied by gas-phase electron diffraction and quantum chemical calculations

Robert Noble-Eddy, Sarah L. Masters, David W. H. Rankin, Heather E. Robertson, Jean-Claude Guillemin

Research output: Contribution to journalArticlepeer-review

Abstract / Description of output

The molecular structures of vinylarsine (CH2=CHAsH2), vinyldichloroarsine (CH2=CHAsCl2) and arsine (AsH3) have been determined from gas-phase electron diffraction data and, in the case of vinylarsine, rotation constants, employing the SARACEN method. The structure of vinylarsine represents the first complete gas-phase structure of a primary arsine. The experimental geometric parameters generally show good agreement with those obtained using ab initio calculations. Key structural parameters (r(h1)) for vinylarsine are rAs-H = 150.5(4) pm, rAs-C = 195.1(1) pm and <C-C-As = 119.4(2)degrees. The bonding and conformational trends in both vinylarsine and vinyldichloroarsine are compared to those found in the analogous amines and phosphines. (C) 2009 Elsevier B.V. All rights reserved.

Original languageEnglish
Pages (from-to)26-34
Number of pages9
JournalJournal of Molecular Structure
Volume978
Issue number1-3
DOIs
Publication statusPublished - 20 Aug 2010

Fingerprint

Dive into the research topics of 'Molecular structures of vinylarsine, vinyldichloroarsine and arsine studied by gas-phase electron diffraction and quantum chemical calculations'. Together they form a unique fingerprint.

Cite this