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- W3104889787 abstract "OX2 (X=halogen) molecules was studied theoretically. Calculation results show that delocalized π36 bonds exist in their electronic structures and O atoms adopt the sp2 type of hybridization, which violates the prediction of the valence shell electron pair repulsion theory of sp3 type. Delocalization stabilization energy is proposed to measure the contribution of delocalized π36 bond to energy decrease and proves to bring extra-stability to the molecule. These phenomena can be summarized as a kind of coordinating effect." @default.
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- W3104889787 date "2022-06-01" @default.
- W3104889787 modified "2023-09-23" @default.
- W3104889787 title "Delocalized π36 bond in OX<sub>2</sub> (X=halogen) molecules" @default.
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- W3104889787 doi "https://doi.org/10.1063/1674-0068/cjcp2006101" @default.
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