MOLECULAR-ORBITAL CALCULATION OF MOSSBAUER PARAMETERS FOR TIN-COMPOUNDS IN LOW-TEMPERATURE MATRICES

Mossbauer parameters of tin compounds, Sn(CH3)(n)Cl-4-n (n=0,1,2,3,4), isolated in low temperature matrices are correlated with electronic p roperties at the tin nuclei obtained by molecular orbital calculations . The Mossbauer isomer shift and quadrupole splitting show good correl ation with electron density and electric field gradient estimated by m olecular orbital calculations, respectively. Structures of novel speci es (Sn(CH3)(2)CH2 and [Sn(CH3)(2)CH2](2)) produced via photodissociati on of Sn(CH3)(4) in low temperature matrices were estimated by means o f molecular orbital calculations as compared with Mossbauer parameters .