화학공학소재연구정보센터
Inorganic Chemistry, Vol.48, No.12, 5370-5375, 2009
Structures and Energetics of AlnHn2- (5 <= n <= 12) and AlnHn+2 (4 <= n <= 12): Are Alanes the Borane Analogues?
In this work, we report the first comparative study directly between AlnHn2- and BnHn2- (5 <= n <= 12), AlnHn+2 and BnHn+2 (4 <= n <= 12) covering diverse structural forms. It was shown that Al(n)h(n)(2-) each have a closo ground structure as BnHn2-, nicely consistent with the Wade-Mingos rule. However, AlnHn+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 BnHn+2 also have similar closo (even)-nido (odd) alternation. Therefore, our direct comparison showed that AlnHn2- (5 <= 5 n <= 12) and AlnHn+2 (4 <= n <= 12) can be viewed as the borane analogues, though not all AlnHn+2 have the ability of being explained by Wade-Mingos rule. So, the analogy between alanes and boranes in form of XnHn+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.