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硼羰基络合物正离子B(CO)3+和B2(CO)4+的红外光解离光谱
金佳晔,王冠军,周鸣飞
作者单位E-mail
金佳晔 复旦大学化学系, 上海市分子催化与功能材料重点实验室, 上海 200433  
王冠军 复旦大学化学系, 上海市分子催化与功能材料重点实验室, 上海 200433  
周鸣飞 复旦大学化学系, 上海市分子催化与功能材料重点实验室, 上海 200433 mfzhou@fudan.edu.cn 
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DOI:10.1063/1674-0068/29/cjcp1512238
分类号:
基金项目:
Infrared Photodisssociation Spectroscopy of Boron Carbonyl Cation Complexes
Jia-ye Jin,Guan-jun Wang,Ming-fei Zhou
Abstract:
The boron carbonyl cation complexes B(CO)3+, B(CO)4+ and B2(CO)4+ are studied by infrared photodissociation spectroscopy and theoretical calculations. The B(CO)4+ ions are characterized to be very weakly bound complexes involving a B(CO)3+ core ion, which is predicted to have a planar DD3h structure with the central boron retaining the most favorable 8-electron configuration. The B2(CO)4+ cation is determined to have a planar D2h structure involving a B-B one and half bond. The analysis of the B-CO interactions with the EDA-NOCV method indicates that the OC→B σ donation is stronger than the B→CO π back donation in both ions.
Key words:  Boron carbonyl  Donor-acceptor bonding  Infrared photodissociation spectroscopy  Theoretical calculations