Calculation of the /sup 119/Sn isomer shifts in complexes of tin tetrachloride with organic ligands

Journal Article · Thu Jul 01 04:00:00 EDT 1982 · J. Struct. Chem. (Engl. Transl.); (United States)

OSTI ID:6337605

Varnek, V A; Poleshchuk, O Kh; Mazalov, L N; Kizhner, D M

The CNDO/2 method in a sp-valence basis has been used to calculate the electronic structure of tin tetrachloride and four complexes of tin tetrachloride with organic ligands. The calculation has given the theoretical values of the /sup 119/Sn isomer shifts, which have been compared with the experimental values. It has been shown that the decrease in the isomer shift taking place on complex formation is due to the decrease in the 5s electron density on the tin atom. For complexes of the type SnCl/sub 4/L/sub 2/, a correlation is observed between the isomer shifts and the ionization potentials of the donor molecule, indicating an increase in the isomer shift with increase in the strength of the donor - acceptor interaction.

• Research Organization: Academy of Sciences of USSR
• OSTI ID: 6337605
• Journal Information: J. Struct. Chem. (Engl. Transl.); (United States), Journal Name: J. Struct. Chem. (Engl. Transl.); (United States) Vol. 23:1; ISSN JSTCA
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400201* -- Chemical & Physicochemical Properties
CHEMICAL SHIFT
CHLORIDES
CHLORINE COMPOUNDS
COMPLEXES
DAYS LIVING RADIOISOTOPES
ELECTRONIC STRUCTURE
ENERGY-LEVEL TRANSITIONS
EVEN-ODD NUCLEI
HALIDES
HALOGEN COMPOUNDS
INTERMEDIATE MASS NUCLEI
INTERNAL CONVERSION RADIOISOTOPES
ISOMERIC TRANSITION ISOTOPES
ISOMERIC TRANSITIONS
ISOTOPES
NUCLEI
RADIOISOTOPES
SPECTRA
STABLE ISOTOPES
TIN 119
TIN COMPLEXES
TIN ISOTOPES