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首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >A Spectroscopic and Theoretical Investigation of Charge Transfer Complexese between Silver and Nitric Oxide: Infrared Spectra and Density Functional Calculations of AgNO~(+, O, -) and Ag_x(NO)_y Cluster (x, y = 1,2) in Solid Argon and Neon
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A Spectroscopic and Theoretical Investigation of Charge Transfer Complexese between Silver and Nitric Oxide: Infrared Spectra and Density Functional Calculations of AgNO~(+, O, -) and Ag_x(NO)_y Cluster (x, y = 1,2) in Solid Argon and Neon

机译:银与一氧化氮之间电荷转移配合物的光谱和理论研究:固体氩气中AgNO〜(+,O,-)和Ag_x(NO)_y团簇(x,y = 1,2)的红外光谱和密度泛函计算和霓虹灯

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摘要

Laser-ablated silver atoms are reacted with nitric oxide, and products are isolated in solid argon and neon. The pesudo-hyponitrite complex Ag(NO)_2Ag is the dominant product, with AgNOAg and AgONNO present in smaller yields. These complexes are shown using density functional theory to include signficant charge transfer from silver but are not as ionic as the analolgous alkali metal complexes of nitric oxide. The neutral and ionic mononitrosyls AgNO~+, AgNO, and AgNO~- are also observed, and qualitative trends in bond lengths and frequencies in this series are discussed.
机译:激光烧蚀的银原子与一氧化氮反应,产物被分离成固体氩气和氖气。假亚闪石络合物Ag(NO)_2Ag是主要产物,其中AgNOAg和AgONNO的收率较低。使用密度泛函理论显示这些络合物包括从银转移的重要电荷,但不像一氧化氮的芳族碱金属络合物那样具有离子性。还观察到中性和离子性的亚硝酰基AgNO〜+,AgNO和AgNO〜-,并讨论了该系列中键长和频率的定性趋势。

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