Exchange Charges and Bond Orders for Homonuclear Diatomic Molecules | Zendy

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Exchange Charges and Bond Orders for Homonuclear Diatomic Molecules

Author(s) -

Chang TseChiang

Publication year - 1993

Publication title -

journal of the chinese chemical society

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.329

H-Index - 45

eISSN - 2192-6549

pISSN - 0009-4536

DOI - 10.1002/jccs.199300033

Subject(s) - homonuclear molecule , chemistry , bond order , diatomic molecule , valence bond theory , bond energy , bond , generalized valence bond , sextuple bond , bond length , inverse , molecule , quadruple bond , chemical bond , computational chemistry , molecular physics , molecular orbital , organic chemistry , geometry , mathematics , finance , economics

A new bond order definition B = βS 2 is defined which relates the bond order B to the non‐classical exchange charges in the bonding region. This definition is successful in correlating the bond order to its bond energy, when the overlap is calculated from a generalized valence‐bond pair function and the parameter β is chosen to be the inverse of bond distance.

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