Molecular orbital calculation of Moessbauer parameters for stannane derivatives and their photoproducts in low temperature matrices

Moessbauer parameters of tin compounds isolated in low temperature matrices were related to electronic properties at the tin nuclei which had been obtained by molecular orbital calculations. Stannane and its derivatives as well as tin halide compounds in low temperature matrices show good correlation between observed isomer shifts δ and calculated electron density ρ(0), and also between observed quadrupole splittings Δ EQ and calculated electric field gradients EFG. Using correlation for the observed Moessbauer parameters and calculated electronic properties of known compounds, assignment of novel photoproduct species were confirmed and their structures determined on the basis of molecular orbital calculations. (orig.)