A theoretical treatment of the LiH and BeH formation through radiative association

Citation
Mc. Bacchus-montabonel et D. Talbi, A theoretical treatment of the LiH and BeH formation through radiative association, THEOCHEM, 463(1-2), 1999, pp. 91-97
Citations number
21
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE
ISSN journal
01661280 → ACNP
Volume
463
Issue
1-2
Year of publication
1999
Pages
91 - 97
Database
ISI
SICI code
0166-1280(19990423)463:1-2<91:ATTOTL>2.0.ZU;2-9
Abstract
Rate constants for the formation of LiH and BeH through the radiative assoc iation process have been calculated from potential energy surfaces and dipo le moments, accurately determined using quantum chemistry methods. At 400 K , these rate constants are 0.3 X 10(-19) cm(3\) s(-1) for LiH and 0.7 x 10( -19) cm(3) s(-1) for BeH. The cosmological implications of these results an d the role of LiH and BeH as primordial molecules are discussed. (C) 1999 P ublished by Elsevier Science B.V. All rights reserved.