Connecting Pauling and Mulliken Electronegativities
- 2 February 2005
- journal article
- research article
- Published by American Chemical Society (ACS) in Journal of Chemical Theory and Computation
- Vol. 1 (2) , 255-260
- https://doi.org/10.1021/ct049942a
Abstract
A conversion formula between Pauling and Mulliken electronegativities is derived from a new analytic treatment of the classic valence bond model for a single bond A-B in terms of Mulliken-Jaffe "a and b" parameters for the atomic valence states. The new formula works better than the traditional linear and half-power empirical formulas. The results are consistent with an absolute Pauling scale in which both electronegativities approach zero simultaneously.Keywords
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