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A General Valence-Length Correlation for Determining Bond Orders: Application to Carbon-Carbon and Carbon-Hydrogen Chemical Bonds
2016
Journal of the Arkansas Academy of Science
A quantum-mechanical LCAO approach was used to derive Pauling's popular empirical bond valencelength relationship s = exp((R o -R)/b), where s is the bond order or bond valence associated with bond length R, and R o and b are fitting parameters. An expression for the b "empirical" fitting parameter is derived in terms of atomic orbital exponents. The b parameters calculated from the atomic orbital exponents are consistent with optimized b parameters. In general, atomic orbital exponents may be
doi:10.54119/jaas.2016.7009
fatcat:hiolx63g5jeinpij37mp5boufm