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 b...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 D3h structure with the central boron retaining the most favorable 8-electron configuration. The B2（C0）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 cr donation is stronger than the B-＋CO π back donation in both ions.展开更多
基金The work was supported by the Ministry of Sci- ence and Technology of China （No.2013CB834603） and the National Natural Science Foundation of China （No.21173053 and No.21433005）.
文摘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 D3h structure with the central boron retaining the most favorable 8-electron configuration. The B2（C0）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 cr donation is stronger than the B-＋CO π back donation in both ions.
