Etude théorique par la méthode DFT des structures non-classiques des systèmes X2H2F2 (X=Si, Ge, Sn)

The previous systems of triple-bond and single-bond self-consistent, additive covalent radii, R(AB)=r(A)+ r(B), are completed with a fit for sigma(2)pi(2) double-bonds.The primary bond lengths, R, are taken from experimental or theoretical data corresponding to chosen group valencies. All r(E) values are obtained from the same, self-consistent fit. Many of the calculated primary data came from E=CH(2) and H-E=CH(2) models. Homonuclear LE=EL, formaldehyde-type Group 14-Group 16 and open-shell, X (3) Sigma Group-16 dimer data are included. The standard deviation for the 316 included data points is 3 pm.

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Molecular Double‐Bond Covalent Radii for Elements Li–E112

Pyykkö

Atsumi

2009

Chemistry A European J

1,227

172

1,184

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Etude théorique par la méthode DFT des structures non-classiques des systèmes X2H2F2 (X=Si, Ge, Sn)

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Molecular Double‐Bond Covalent Radii for Elements Li–E112

Molecular Double‐Bond Covalent Radii for Elements Li–E112

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