Calculational study of the protonation of BXH2 and BX2H (X = F and Cl). Structures of BXH3+ and BX2H2+ and their dihydrogen complexes BXH5+ and BX2H4+

Authors
Rasul, G Olah, GA
Citation
G. Rasul et Ga. Olah, Calculational study of the protonation of BXH2 and BX2H (X = F and Cl). Structures of BXH3+ and BX2H2+ and their dihydrogen complexes BXH5+ and BX2H4+, INORG CHEM, 40(10), 2001, pp. 2453
Citations number
26
Categorie Soggetti
Inorganic & Nuclear Chemistry
Journal title
INORGANIC CHEMISTRY
ISSN journal
00201669 → ACNP
Volume
40
Issue
10
Year of publication
2001
Database
ISI
SICI code
0020-1669(20010507)40:10<2453:CSOTPO>2.0.ZU;2-9
Abstract
Ab initio calculations on monoprotonated BFH2 indicate that the B-H protona ted la is 9.7 kcal/mol more stable than the F-protonated Ib. Thus the bonde d electron pair of the B-H bond is a better donor than the nonbonded fluori ne electron pair in BFH2.