Title of article
Equilibrium CAs and CSb bond lengths
Author/Authors
Demaison، نويسنده , , Jean and Mّllendal، نويسنده , , Harald and Guillemin، نويسنده , , Jean-Claude، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2009
Pages
5
From page
21
To page
25
Abstract
The equilibrium structures of some small molecules containing the CAs or the CSb bond are determined using the method of predicate observations. The input data are the semi-experimental equilibrium rotational constants (experimental ground state rotational constants corrected for the rovibrational contribution calculated from the ab initio cubic force field) and the bond lengths and bond angles calculated ab initio using the CCSD(T) method and a relativistic effective core potential of quadruple zeta quality. It is shown that this method, avoiding difficult isotopic substitutions, allows us to obtain reliable equilibrium structures.
Keywords
Equilibrium structure , Carbon–arsenic bond length , Carbon–antimony bond length
Journal title
Journal of Molecular Structure
Serial Year
2009
Journal title
Journal of Molecular Structure
Record number
1966534
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