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Structures and Energetics of AInHn2 (5 ⩽ n ⩽ 12) and AInHn+2 (4 ⩽ n ⩽ 12): Are Alanes the Borane Analogues?

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Title: Structures and Energetics of AInHn2 (5 ⩽ n ⩽ 12) and AInHn+2 (4 ⩽ n ⩽ 12): Are Alanes the Borane Analogues?
Authors: Fu, Li-juan1, Xie, Hong-bin1, Ding, Yi-hong1 yhdd@jlu.edu.cn
Source: Inorganic Chemistry. 6/15/2009, Vol. 48 Issue 12, p5370-5375. 6p. 1 Chart.
Subjects: Inorganic compounds, Boranes, Atoms, Hydrogen, Inorganic chemistry, Comparative studies
Abstract: In this work, we report the first comparative study directly between AI[subn]H[subn+2] and B[subn]H[subn+2] (5 ⩽ n ⩽ 12), Al[subn]H[subn+2] and B[subn]H[subn+2] (4 ⩽ n ⩽ 12) covering diverse structural forms. It was shown that AI[subn]H[subn+2] each have a closo ground structure as B[subn]H[sub+2], nicely consistent with the Wade-Mingos rule. However, Al[subn]H[subn+2] adopt the closo-nido ground structures following the even-odd alternation in the number of Al atoms, showing `distinct violation of the Wade-Mingos rule for the odd-numbered Al-atoms. Interestingly, the corresponding B[subH][subn+2] also have similar closo (even)-nido (odd) alternation. Therefore, our direct comparison showed that AI[subn]H[subn+2] (5 ⩽ n ⩽ 12) and Al[subn]H[subn+2] (4 ⩽ n ⩽12) can be viewed as the borane analogues, though not all AI[subn]H[subn+2] have the ability of being explained by Wade-Mingos rule. So, the analogy between alanes and boranes in form of X[subn]H[subn+]2 should not be simply judged by the Wade-Mingos rule because of the significant influence of the additional two hydrogen atoms on the closo-structure. [ABSTRACT FROM AUTHOR]
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Abstract:In this work, we report the first comparative study directly between AI[subn]H[subn+2] and B[subn]H[subn+2] (5 ⩽ n ⩽ 12), Al[subn]H[subn+2] and B[subn]H[subn+2] (4 ⩽ n ⩽ 12) covering diverse structural forms. It was shown that AI[subn]H[subn+2] each have a closo ground structure as B[subn]H[sub+2], nicely consistent with the Wade-Mingos rule. However, Al[subn]H[subn+2] adopt the closo-nido ground structures following the even-odd alternation in the number of Al atoms, showing `distinct violation of the Wade-Mingos rule for the odd-numbered Al-atoms. Interestingly, the corresponding B[subH][subn+2] also have similar closo (even)-nido (odd) alternation. Therefore, our direct comparison showed that AI[subn]H[subn+2] (5 ⩽ n ⩽ 12) and Al[subn]H[subn+2] (4 ⩽ n ⩽12) can be viewed as the borane analogues, though not all AI[subn]H[subn+2] have the ability of being explained by Wade-Mingos rule. So, the analogy between alanes and boranes in form of X[subn]H[subn+]2 should not be simply judged by the Wade-Mingos rule because of the significant influence of the additional two hydrogen atoms on the closo-structure. [ABSTRACT FROM AUTHOR]
ISSN:00201669
DOI:10.1021/ic900401f