Fractional bond orders in E2H4 molecules (ESi, Ge, and Sn)

doi:10.1016/0009-2614(91)90227-Z

Chemical Physics Letters

Volume 181, Issue 1, 14 June 1991, Pages 88-94

https://doi.org/10.1016/0009-2614(91)90227-Z Get rights and content

Abstract

The Si, Ge and Sn analogues of ethene have a special bond between the E atoms. As we found in ab initio calculations, the polarized banana bond (called papaw bond) in the trans—bent equilibrium geometry of these compounds have a bond order smaller than two but larger than one: B_SiSi1.76, B_GeGe1.61 and B_SnSn1.46. The d orbitals of the E atoms do not participate in the EE bond. The bond order is smaller than that characteristics for a σ + π double bonds as the p_z orbital of one E atom interacts with the s orbital of the other one and only to a lesser extent with its p_z orbitals. The trans—bent equilibrium structure corresponds to a valence state between sp₃ and sp₂ and to valences V_Si3.78, V_Ge3.59 and V_Sn 3.40. The ab initio bond orders are in reasonable agreement with the bond numbers calculated from the formula of Pauling supporting the applicability of the latter relation.

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¹: Present address: Department of Chemistry, Northwestern University, 2145 Sheridan Road, Evanston, IL 60208, USA.

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Fractional bond orders in E2H4 molecules (ESi, Ge, and Sn)

Abstract

J. Phys. Chem.

Theoret. Chim. Acta

J. Organomet. Chem.

J. Am. Chem. Soc.

J. Educ. Chem.

Chem. Phys. Letters

J. Phys. Chem.

J. Phys. Chem.

Advan. Chem. Phys.

J. Am. Chem. Soc.

J. Am. Chem. Soc.

Advan. Organomet. Chem.

Angew. Chem.

J. Chem. Soc. Dalton Trans.

J. Michl. Organometal.

Accounts Chem. Res.

Progr. Inorg. Chem.

Chem. Phys. Letters

Chem. Phys. Letters

J. Am. Chem. Soc.

J. Am. Chem. Soc.

Chem. Phys. Letters

J. Am. Chem. Soc.

Fractional bond orders in E₂H₄ molecules (ESi, Ge, and Sn)