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- W2045752842 endingPage "6893" @default.
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- W2045752842 abstract "The heavy dipnictenes (REER, where E = P, As, Sb, and Bi with the substituent R) have essentially planar geometry and appreciable strength in π-bonding, unlike related heavier main group 14 analogues of alkenes as concluded recently by Power. This work demonstrated that the protonated pnictenes behave more like the heavy carbene for their weak π-bonding character from the computational study with the B3LYP/6-311++G** method. For example, although both phosphinidene (HP) and the phosphonium ion (H2P+) are isoelectronic to silylenes, the π-bonding tendency of the former is rather strong and it forms a planar adduct with both the stable carbene and stable silylene ((HCNH)2E, where E = C and Si). In contrast, the latter forms trans-bent adducts with the two species. These results can be interpreted in terms of the Carter−Goddard−Malrieu−Trinquier (CGMT) model, and the fact that the value of ΔEST [E(triplet) − E(singlet)] of the HP fragment increases significantly after protonation. All other heavy pnictenes resemble the phosphinidene. In contrast, nitrene (HN) and nitrenium (H2N+) have a ground triplet state, thus both have strong π-bonding character similar to that of carbene." @default.
- W2045752842 created "2016-06-24" @default.
- W2045752842 creator A5003005095 @default.
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- W2045752842 date "2007-05-02" @default.
- W2045752842 modified "2023-10-14" @default.
- W2045752842 title "Distinct π-Bonding Capability between Phosphinidene and Phosphonium Ion: A Computational Study" @default.
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- W2045752842 doi "https://doi.org/10.1021/jp070812i" @default.
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