Infrared spectrum of the novel electron-deficient BH(4) radical in solid neon

Lester Andrews; Xuefeng Wang

doi:10.1021/ja026572w

Infrared spectrum of the novel electron-deficient BH(4) radical in solid neon

J Am Chem Soc. 2002 Jun 26;124(25):7280-1. doi: 10.1021/ja026572w.

Authors

Lester Andrews¹, Xuefeng Wang

Affiliation

¹ Department of Chemistry, University of Virginia, P.O. Box 400319, Charlottesville, Virginia 22904-4319, USA. lsa@virginia.edu

PMID: 12071731
DOI: 10.1021/ja026572w

Abstract

Laser-ablated boron reacts with hydrogen on condensation in excess neon to give BH4 radical, BH4- anion, and B2H6 as the major products. Identifications are based on 10B and D substitution, DFT frequency calculations, and comparison to previous spectra. Infrared spectra of BH4 support the C2v structure deduced from previous ESR spectra and theoretical calculations with two normal B-H bonds and two long B-H bonds for this novel electron-deficient radical. NBO analysis suggests that the two long B-H bonds and the H- -H bond are one-electron bonds.