Infrared photodissociation spectroscopy of mass-selected heteronuclear iron-copper carbonyl cluster anions in the gas phase.
Infrared photodissociation spectroscopy of mass-selected heteronuclear iron-copper carbonyl cluster anions in the gas phase.
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DOI：
10.1021/acs.jpca.5b02442
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发表时间：
2015-04
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影响因子：
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通讯作者：
Ning Zhang;M. Luo;Chaoxian Chi;Guanjun Wang;Jieming Cui;Mingfei Zhou
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作者：
Ning Zhang;M. Luo;Chaoxian Chi;Guanjun Wang;Jieming Cui;Mingfei Zhou
通过气相羰基伸缩频率区域的红外光解离光谱研究了质量选择的异核铁-铜羰基簇阴离子CuFe(CO)n(-) (n = 4-7)。簇阴离子是通过激光汽化超音速簇离子源产生的。它们的几何结构是通过将实验光谱与密度泛函理论计算的光谱进行比较来确定的。实验观察到的 CuFe(CO)n(-) (n = 4-7) 簇阴离子具有 (OC)4Fe-Cu(CO)n-4 结构，每个结构均包含 C3v 对称 Fe(CO)4(-) 结构单元。键合分析表明，CuFe(CO)n(-) (n = 4-7)簇阴离子中的Fe-Cu键是σ型单键，铁中心具有最有利的18电子构型。这些结果为异核过渡金属羰基簇阴离子的结构和键合提供了重要的新见解。
Mass-selected heteronuclear iron-copper carbonyl cluster anions CuFe(CO)n(-) (n = 4-7) are studied by infrared photodissociation spectroscopy in the carbonyl stretching frequency region in the gas phase. The cluster anions are produced via a laser vaporization supersonic cluster ion source. Their geometric structures are determined by comparison of the experimental spectra with those calculated by density functional theory. The experimentally observed CuFe(CO)n(-) (n = 4-7) cluster anions are characterized to have (OC)4Fe-Cu(CO)n-4 structures, each involving a C3v symmetry Fe(CO)4(-) building block. Bonding analysis indicates that the Fe-Cu bond in the CuFe(CO)n(-) (n = 4-7) cluster anions is a σ type single bond with the iron center possessing the most favored 18-electron configuration. The results provide important new insight into the structure and bonding of hetronuclear transition metal carbonyl cluster anions.