Infrared Photodissociation Spectroscopy of Ti+(CO2)2Ar and Ti+(CO2)n(n=3-7) Comple xes (cited: 1) |
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| Authors: | Xiao-peng Xing Guan-jun Wang Cai-xia Wang Ming-fei Zhou |
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| Institution: | 1.Department of Chemistry, Tongji University, Shanghai 200092, China2.Department of Chemistry, Shanghai Key Laboratory of Molecular Catalysts and Innovative Materials, Fudan University, Shanghai 200433, China |
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| Abstract: | Ti+(CO2)2Ar and Ti+(CO2)n(n=3-7) complexes are produced by laser vaporization in a pulsed supersonic expansion. The ion complexes of interest are each mass-selected in a time-of-flight spectrometer, and studied with infrared photodissociation spectroscopy. For each complex, a sharp band in the CO stretching frequency region is observed, which confirms the formation of the OTi+CO(CO2)n-1 oxide-carbonyl species. Small OTi+CO(CO2)n-1 complexes (n≦5) exhibit CO stretching and antisymmetric CO2 stretching vibrational bands that are blue-shifted from those of free CO and CO2. The experimental observations indicate that the coordination number of CO and CO2 molecules around TiO+ is five. Evidence is also observed for the presence of another electrostatic bonding Ti+(CO2)2 structural isomer for the Ti+(CO2)2Ar complex, which is characterized to have a bent OCO-Ti+-OCO structure stabilized by argon coordination |
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| Keywords: | Infrared photodissociation spectroscopy Carbon dioxide complex Titanium Insertion reaction Density functional calculation |
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