SOBRE LA ANISOTROPIA EN EL TENSOR DE ACOPLAMIENTO U(Sn-X), (X=F, Cl) DE LOS COMPUESTOS SnMe3X EN FASE SOLIDA

JOSÉ A. GONZALEZ; GUSTAVO A. AUCAR; MARTÍN RUIZ DE AZÚA; RUBÉN H. CONTRERAS

FACENA

FACULTAD DE CIENCIAS EXACTAS Y NATURALES Y AGRIMENSURA, UNIVERSIDAD NACIONAL DEL NORDESTE

Lugar: Corrientes; Año: 1992 vol. 9 p. 173 - 187

0325-4216

The anisotropy of NMR coupling tensor in solids with heavy atoms, is teoretically studied. The last version of the CLOPPA program is used. The results obtained are in good agreement with solid-state \J(Sn-X), (X ::Cl, F) experimental data. The most important term of the tensor is the Fermi-Dipolar one. Their anisotropy is defined by SD-FC cross term. Their SD excitation over Sn atom is increased by the Fe excitation over the other atom. It was encountered that both SD and FC perturbators over nuclei X, for excitation corresponding to s-type lone pair X halogen and Sn-X antibonding localized molecular orbital are the most important contributions to the behaviour of the SnMe3X anisotropy.