引用本文:
【打印本页】   【HTML】   【下载PDF全文】   View/Add Comment  【EndNote】   【RefMan】   【BibTex】
←前一篇|后一篇→ 过刊浏览    高级检索
本文已被:浏览 2116次   下载 1681 本文二维码信息
码上扫一扫!
分享到: 微信 更多
Infrared Photodissociation Spectroscopy of Ti+(CO2)2Ar and Ti+(CO2)n(n=3-7) Comple xes (cited: 1)
Xiao-peng Xing1, Guan-jun Wang*2, Cai-xia Wang2, Ming-fei Zhou2
1.Department of Chemistry, Tongji University, Shanghai 200092, China;2.Department of Chemistry, Shanghai Key Laboratory of Molecular Catalysts and Innovative Materials, Fudan University, Shanghai 200433, China
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
Key words:  Infrared photodissociation spectroscopy, Carbon dioxide complex, Titanium, Insertion reaction, Density functional calculation
FundProject:
Ti+(CO2)2Ar和Ti+(CO2)n(n=3-7)络合物离子的红外光解离光谱 (cited: 1)
邢小鹏1, 王冠军*2, 王彩霞2, 周鸣飞2
1.同济大学化学系,上海200092;2.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
摘要:
利用脉冲激光溅射-超声分子束载带方法制备了气相Ti+(CO2)2Ar和Ti+(CO2)n(n=3-7)络合物离子.采用红外光解离光谱研究了这些选定的质量离子的振动光谱. 对于每一种络合物离子, 在CO伸缩振动频率范围都观察到了振动峰,表明这些离子具有插入的OTi+CO(CO2)n-1结构. 对于n≦5的OTi+CO(CO2)n-1离子,其CO振动和CO2的反对称伸缩振动频率都比自由的CO和CO2的频率要高,表明CO和CO2配体与中心金属离子之间主要是静电相互作用.实验结果还表明TiO+可以直接络合五个配体(1个CO和4个CO2分子).对于n=2络合物体系,除了插入的OTi+CO(CO2)结构以外,还观察到了具有弯曲结构的OCO-Ti+-OCO异构体的存在
关键词:  红外光解离光谱,二氧化碳络合物,钛,插入反应,密度泛函理论计算
DOI:10.1063/1674-0068/26/06/687-693
分类号: