3C/4e -Type Long-Bonding Competes with Ω-Bonding in Noble-Gas Hydrides HNgY (ng = He, Ne, Ar, Kr, Xe, Rn; Y = F, Cl, Br, I): a NBO/NRT Perspective

Guiqiu Zhang,Hong Li,Frank Weinhold,Dezhan Chen

Physical chemistry chemical physics/PCCP Physical chemistry chemical physics（2016）

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摘要

Novel resonance bonding for the HNgY molecule is demonstrated based on natural resonance theory analyses. Ng/Y affects the ω-bonding vs. long-bonding propensity in each of the HNgY molecules.

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