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Dihydrogen Bonds in Solid BH_3NH_3

机译:固体BH_3NH_3中的二氢键

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摘要

The "dihydrogen bond" D-H~(delta+...delta-)H-E-where D is a typical electrostatic atom such as nitrogen or oxygen,and E is a transition metal or boron-was first described by Crabtree and co-workers.Both inter- and intramolecular versions of this bond have been cited,and with typical energies in the range of 12-28 kJ mol~(-1),they are comparable in strength to conventional hydrogen bonds.In particular,the N-H~(delta+...delta-)H-B intermolecular contact in solid-state BH_3NH_3 has received special attention.The absence of nonbonding valence electrons on boron negates a possible H~(delta+...delta-)E interaction that could arise if E were a d-block element.Thus,for BH_3NH_3 the H...H contact must result from a sigma-type interaction.
机译:“二氢键” DH〜(δ+ ...δ-)HE-其中D是典型的静电原子,例如氮或氧,E是过渡金属或硼-最早由Crabtree和其同事描述。引用了该键的分子间和分子内版本,其典型能量在12-28 kJ mol〜(-1)范围内,其强度与常规氢键相当。特别是NH〜(delta +)。固态BH_3NH_3中的.δ-)HB分子间接触受到了特别的关注。硼上缺乏非键合价电子会否定如果E为d-则可能发生的H〜(delta + ... delta-)E相互作用。因此,对于BH_3NH_3,H ... H接触必须来自sigma型相互作用。

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