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首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >Reactions of Laser-Ablated Osmium and Ruthenium Atoms with Carbon Dioxide: Matrix Infrared Spectra and Density Functional Calculations on OMCO, O_2MCO, OMCO~- (M = Os, Ru), O_2Os(CO)_2, and OCRu(O_2)CO
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Reactions of Laser-Ablated Osmium and Ruthenium Atoms with Carbon Dioxide: Matrix Infrared Spectra and Density Functional Calculations on OMCO, O_2MCO, OMCO~- (M = Os, Ru), O_2Os(CO)_2, and OCRu(O_2)CO

机译：激光烧蚀O和钌原子与二氧化碳的反应：OMCO，O_2MCO，OMCO〜-（M = Os，Ru），O_2Os（CO）_2和OCRu（O_2）CO的基质红外光谱和密度泛函计算

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摘要

Laser-ablated Os and Ru atoms react with CO_2 molecules upon cocondensation in excess argon at 7 K and neon at 4 K. Besides the dominant neutral products [OMCO, O_2MCO, OMCO~- (M = Os, Ru), O_2Os(CO)_2, and OCRu(O_2)CO], anionic species [OMCO~- (M = Os, Ru)] are also formed and identified through annealing, ultraviolet irradiation, isotopic substitution, and CCl_4-doping experiments. DFT calculations have been performed on possible products, and the overall agreement between the calculated and observed vibrational absorptions supports the product identifications.
机译：激光烧蚀后的Os和Ru原子在过量的7K氩气和4K的氖气中共冷凝时与CO_2分子反应。除了主要的中性产物[OMCO，O_2MCO，OMCO〜-（M = Os，Ru），O_2Os（CO） _2和OCRu（O_2）CO]的阴离子种类[OMCO〜-（M = Os，Ru）]也可以通过退火，紫外线照射，同位素取代和CCl-4-掺杂实验来形成和鉴定。已经对可能的产品执行了DFT计算，并且所计算出的振动吸收与观察到的振动吸收之间的总体一致性支持了产品标识。

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