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Ab initio calculations were used to analyze the interactions of B6H10 with an HF molecule at the MP2/6-311++g(d,p) and B3LYP/6-311++g(d,p) computational levels. B6H10 could interact with HF through both its terminal (Ht) and bridged (Hb) hydrogens. The interaction of Ht and Hb of B6H10 with HF could result in the formation of Ht···H and Hb···F dihydrogen and hydrogen bond complexes, respectively....
The closo-boranes BnHn2− (6 ≤ n ≤ 12) have been constructed topologically by fusing together of the two component nido-boranes B5H9 and B6H10. The stability and aromaticity of the closo-boranes can be regarded as inherited from the two component nido-boranes, and the closo-boranes which can be formed by two same nido-boranes through sharing a “ring” fragment or without sharing any BH fragment...
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