Author:
Etschmann B. E.,Maslen E. N.
Abstract
Bond lengths for diatomic molecules are predicted from atomic radii derived
from free atom one-electron densities by postulating shielding factors for
their valence electrons that depend on orbital angular momentum and on the
bond order. The predicted values are closer to spectroscopically measured bond
lengths than those based on earlier atomic radii inferred from a wider range
of structural evidence. The bond lengths predicted by the sum of the atomic
radii are corrected by a reduction that allows for charge transfer and by an
extension associated with exchange repulsion of the overlapping electrons in
the inter-nuclear region. Both corrections are related to free atom
one-electron densities.
Subject
General Physics and Astronomy
Cited by
2 articles.
订阅此论文施引文献
订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献