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首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >Reactions of Gold Atoms with Nitrous Oxide in Excess Argon:A Matrix Infrared Spectroscopic and Theoretical Study
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Reactions of Gold Atoms with Nitrous Oxide in Excess Argon:A Matrix Infrared Spectroscopic and Theoretical Study

机译：过量氩中金原子与一氧化二氮的反应：基体红外光谱和理论研究

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Reactions of laser-ablated Au atoms with N2O molecules in excess argon have been investigated using matrix-isolation infrared spectroscopy and density functional theory calculation.On the basis of isotopic shifts,mixed isotopic splitting patterns,CCVdoping experiments,and the comparison with theoretical calculations,the absorption at 2047.5 cm~(-1)is assigned to the OAuNN~-anion,and the absorption at 1512.3 cm~(-1)is assigned to the AuNO~-anion,respectively.No evidence is found for the formation of new neutral and cationic products in the present experiments.It is predicted that the OAuNN"anion is a linear singlet molecule and the AuNO~-anion is a bent doublet molecule.The agreement between the experimental and calculated vibrational frequencies,relative absorption intensities,and isotopic shifts supports the identifications of these species from the matrix infrared spectra.Plausible reaction pathways have also been discussed for the formation of these products.
机译：利用同位素隔离红外光谱和密度泛函理论计算研究了激光烧蚀金原子与过量氩中N2O分子的反应。在同位素位移，混合同位素分裂图，CCV掺杂实验以及与理论计算的比较的基础上，在2047.5 cm〜（-1）处的吸收被分配给OAuNN〜阴离子，在1512.3 cm〜（-1）处的吸收被分配给AuNO〜阴离子。没有发现形成新的证据。在本实验中，我们发现中性和阳离子产物。预计OAuNN“阴离子为线性单线态分子，AuNO〜-阴离子为弯曲双线态分子。实验和计算的振动频率，相对吸收强度和同位素之间的一致性位移支持从基质红外光谱识别这些物种。还讨论了可能的反应途径来形成这些产物。

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