Electric charge redistribution in BrCl resulting from interaction with Ar: the rotational spectrum of the linear complex Ar⋯BrCl

Autor: Anthony C. Legon, Eric R. Waclawik, J.B. Davey
Rok vydání: 2001
Předmět:
Zdroj: Chemical Physics Letters. 346:103-111
ISSN: 0009-2614
DOI: 10.1016/s0009-2614(01)00955-1
Popis: Ground-state rotational spectra of four isotopomers Ar ⋯ 79 Br 35 Cl , Ar ⋯ 81 Br 35 Cl , Ar ⋯ 79 Br 37 Cl and Ar ⋯ 81 Br 37 Cl of a complex involving argon and bromine monochloride were observed. Spectroscopic constants were interpreted on the basis of a linear species Ar⋯BrCl, with atoms in the indicated order and r( Ar ⋯ Br )=3.466 A . When intermolecular electron transfer was assumed negligible, the Br and Cl nuclear quadrupole coupling constants were interpreted to show that a fraction δ(Br→Cl)=3.5(5)×10−3 of an electron is transferred from Br to Cl on complex formation. The values k σ =2.79(1) N m −1 and k ββ =4.7(2)×10 −20 J rad −2 were established for the intermolecular stretching and bending quadratic force constants, respectively.
Databáze: OpenAIRE