Comparative study of the hypercoordinate carbonium ions and their boron analogs: A challenge for spectroscopists

Rasul G.; Surya Prakash G.K.; Olah G.A.

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Comparative study of the hypercoordinate carbonium ions and their boron analogs: A challenge for spectroscopists

机译：超配位碳鎓离子及其硼类似物的比较研究：光谱学家的挑战

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Theoretical and related experimental studies have shown that carbon can extend its bonding from Kekule's tetravalent methane to five, six or seven coordinated protonated methanes, i.e., CH_5~+, CH _6~(2+) and CH_7~(3+) and their analogs. Ab initio calculations indicate that higher coordinated, highly charged carbonium ions could be viable species despite the substantial charge-charge repulsion. Structure and bonding of such carbonium ions and the isoelectronic boron analogs were studied and are discussed. These contribute to our general understanding of the electrophilic reactivity of C-H and C-C single bonds.

机译：理论和相关的实验研究表明，碳可以将其从Kekule的四价甲烷键扩展到五，六或七种配位的质子化甲烷，即CH_5〜+，CH _6〜（2+）和CH_7〜（3+）及其类似物。从头算计算表明，尽管大量的电荷-电荷排斥，较高配位的，高电荷的碳离子仍可能是可行的物质。研究和讨论了这种碳离子和等电硼类似物的结构和键合。这些有助于我们对C-H和C-C单键的亲电反应性的一般理解。

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《Chemical Physics Letters》 |2011年第3期|共8页
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Rasul G.; Surya Prakash G.K.; Olah G.A.;
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Comparative study of the hypercoordinate carbonium ions and their boron analogs: A challenge for spectroscopists

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