On the sign of the dipole moment derivatives in CH3X (X = F, Cl, Br, I) |
| |
Authors: | S Abbate M Gussoni |
| |
Institution: | Centro CNR di Chimica e Chimica-Fisica dei Materiali di Genova, Nucleo di Spettroscopia, c/o Istituto di Chimica Industriale del Politecnico, Milano, Italy |
| |
Abstract: | It is shown in this paper that the principal methods for reducing the indeterminacy of the sign of (δ M/δi) (isotropic invariance of M, quantum mechanical calculations, determination of (δM/δi) via high resolution data or the Stark effect) lead, in the case of CH3X (X = F, Cl, Br, I) molecules, to contradictory conclusions. The discrepancies are illustrated and discussed. It is also pointed out that either a revision of the previous results or a calculation of electro-optical parameters on a set of chemically similar molecules including CH3X could possibly lead to a unique determination of the sign. |
| |
Keywords: | |
本文献已被 ScienceDirect 等数据库收录! |
|