• 主题
高级搜索  >
历史搜索 清空历史
首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >Infrared spectroscopic and density functional theory study on the reactions of lanthanum atoms with carbon dioxide in rare-gas matrices
【24h】

Infrared spectroscopic and density functional theory study on the reactions of lanthanum atoms with carbon dioxide in rare-gas matrices

机译：稀有气体基质中镧原子与二氧化碳反应的红外光谱和密度泛函理论研究

获取原文
获取原文并翻译 | 示例
           
页面导航
  • 摘要
  • 著录项
  • 相似文献
  • 相关主题

摘要

Reactions of laser-ablated La atoms with CO2 molecules in solid argon and neon have been investigated using matrix-isolation infrared spectroscopy. On the basis of isotopic shifts, mixed isotopic splitting patterns, and CCl4-doping experiments, absorptions at 1839.9 and 753.6 cm(-1) in argon and 1855.9 and 771.3 cm(-1) in neon are assigned to the C-O and La-O stretching vibrations of the OLaCO molecule, respectively. Ultraviolet-visible photoinduced isomerization of OLaCO to La-(eta(2)-OC)O and OLa-(eta(2)-CO) have been observed under different wavelength photolyses in the solid matrix. The neon matrix experiments give the C-O and La-O stretching vibrations of the OLaCO- anion at 1769.5 and 779.3 cm(-1), respectively. Density functional theory calculations have been performed on these products, which support the experimental assignments of the infrared spectra. The present study reveals that the C-O stretching vibrational frequencies of OMCO decrease from Sc to La, which indicates an increase in metal d orbital -> CO pi* back-donation in this series.
机译：使用基质隔离红外光谱研究了激光烧蚀的La原子与固体氩气和氖气中的CO2分子的反应。根据同位素迁移，混合同位素分裂模式和CCl4掺杂实验，将氩气中1839.9和753.6 cm（-1）以及氖气中1855.9和771.3 cm（-1）的吸收分配给CO和La-O分别拉伸OLaCO分子的振动。已在固体基质中不同波长的光解作用下观察到OLaCO到La-（eta（2）-OC）O和OLa-（eta（2）-CO）的紫外可见光诱导的异构化。霓虹灯矩阵实验分别给出了OLaCO-阴离子在1769.5和779.3 cm（-1）处的C-O和La-O拉伸振动。已经对这些产品进行了密度泛函理论计算，这支持了红外光谱的实验任务。本研究表明，OMCO的C-O拉伸振动频率从Sc到La降低，这表明该系列中金属d轨道-> CO pi *的回赠增加。

著录项

相似文献

  • 外文文献
  • 中文文献
  • 专利
获取原文

客服邮箱：kefu@zhangqiaokeyan.com

京公网安备：11010802029741号 ICP备案号：京ICP备15016152号-6 六维联合信息科技 (北京) 有限公司©版权所有

  • 客服微信

  • 服务号