Qu Hui, Kong Fanchen, Wang Guanjun, Zhou Mingfei
Department of Chemistry, Shanghai Key Laboratory of Molecular Catalysis and Innovative Materials, Collaborative Innovation Center of Chemistry for Energy Materials, Fudan University , Shanghai 200433, China.
J Phys Chem A. 2017 Mar 2;121(8):1627-1632. doi: 10.1021/acs.jpca.6b13025. Epub 2017 Feb 17.
Fe-Zn and Co-Zn heteronuclear carbonyl cation complexes are produced via a laser vaporization supersonic cluster source in the gas phase. The dinuclear FeZn(CO) and CoZn(CO) cation complexes are observed to be the most intense heterodinuclear carbonyl cation species in the mass spectra. The infrared spectra are obtained via mass selection and infrared photodissociation spectroscopy in the carbonyl stretching frequency region. Their geometric and electronic structures are assigned with the support of density functional calculations. The FeZn(CO) complex is determined to have a (OC)Fe-Zn structure with a Fe-Zn half bond. The CoZn(CO) ion is established to have a staggered (OC)Co-Zn(CO) structure involving a Co-Zn σ single bond.
铁锌和钴锌异核羰基阳离子配合物是通过激光蒸发超声团簇源在气相中产生的。在质谱中观察到双核FeZn(CO)和CoZn(CO)阳离子配合物是强度最高的异双核羰基阳离子物种。通过在羰基伸缩频率区域进行质量选择和红外光解离光谱获得红外光谱。在密度泛函计算的支持下确定了它们的几何和电子结构。确定FeZn(CO)配合物具有(OC)Fe-Zn结构，带有一个Fe-Zn半键。确定CoZn(CO)离子具有涉及Co-Zn σ单键的交错(OC)Co-Zn(CO)结构。
