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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 MOi) (isotropic invariance of M, quantum mechanical calculations, determination of (δMOi) 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:
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