Reactions of Laser-Ablated Chromium Atoms with Nitric Oxide: Infrared Spectra of NCrO, Cr-(η↑(1)-NO)↓(x) (x = 1, 2, 3, 4), and Cr-η↑(2)-NO in Solid Argon

Mingfei Zhou; Lester Andrews

首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >Reactions of Laser-Ablated Chromium Atoms with Nitric Oxide: Infrared Spectra of NCrO, Cr-(η↑(1)-NO)↓(x) (x = 1, 2, 3, 4), and Cr-η↑(2)-NO in Solid Argon

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Reactions of Laser-Ablated Chromium Atoms with Nitric Oxide: Infrared Spectra of NCrO, Cr-(η↑(1)-NO)↓(x) (x = 1, 2, 3, 4), and Cr-η↑(2)-NO in Solid Argon

机译：激光烧蚀铬原子与一氧化氮的反应：NCrO，Cr-（η↑（1）-NO）↓（x）（x = 1，2，3，4）和Cr-η↑（2）的红外光谱）-在实心氩气中为否

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Laser-ablated chromium atoms have been reacted with NO molecules during condensation in excess argon Absorptions due to NC↓(r)O (976.1,866.2 cm↑-1)), Cr-η↑(1)-NO (1614.3, 541.1 cm↑(-1)), and C↓(r)-η↑(2)-NO (1108.8 528.2,478.0 cm↑(-1)) are observed and identified via isotopic substitution and DFT frequency calculations. insertion reaction to give the more stable NC↓(r)O product requires activation energy, while the addition products C↓(r)-η↑(1)-NO and C↓(r)-η↑(2)-NO can be formed on diffusion of cold reagents in solid argon. Higher nitrosyls are also formed on annealing. On the basis of isotopic multiplets, a 1623.3 cm↑(-1) absorption is assigned to ( (η↑(1)-NO)↓(2), a 1663.5 cm↑(-1) absorption to C↓(r)-(η↑(1)-NO)↓(3), and absorptions at 1726.0, 663.0, and 506.1 cm↑(-1) assigned to C↓(r)-(η↑(1)-NO)↓(4). Evidence is also presented for the Cr-(η↑(1)-NO)↓(x)- anions (x = 1, 2, 3) absorb 100-160 cm↑(-1) lower than the neutral nitrosyl counterparts. In addition, NO complexes with C↓(r)O and G are also observed.

机译：激光烧蚀的铬原子在过量氩气中的冷凝过程中与NO分子发生了反应由于NC↓（r）O（976.1,866.2 cm↑-1），Cr-η↑（1）-NO（1614.3，541.1 cm）吸收观察到并通过同位素取代和DFT频率计算确定了↑（-1））和C↓（r）-η↑（2）-NO（1108.8 528.2,478.0 cm↑（-1））。插入反应以得到更稳定的NC↓（r）O产物需要活化能，而加成产物C↓（r）-η↑（1）-NO和C↓（r）-η↑（2）-NO可以是由于冷试剂在固体氩中的扩散而形成的。退火时也会形成高级亚硝酰基。根据同位素多重峰，将（（η↑（1）-NO）↓（2）分配为1623.3 cm↑（-1），将C↓（r）-吸收为1663.5 cm↑（-1）- （η↑（1）-NO）↓（3），以及分配给C↓（r）-（η↑（1）-NO）↓（4）的1726.0、663.0和506.1 cm↑（-1）处的吸收还提供了Cr-（η↑（1）-NO）↓（x）-阴离子（x = 1，2，3）吸收比中性亚硝酰基对应物低100-160 cm↑（-1）的证据。另外，还没有观察到具有C↓（r）O和G的络合物。

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《The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory》 |1998年第40期|共10页
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Mingfei Zhou; Lester Andrews;
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中图分类物理化学（理论化学）、化学物理学;
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Reactions of Laser-Ablated Chromium Atoms with Nitric Oxide: Infrared Spectra of NCrO, Cr-(η↑(1)-NO)↓(x) (x = 1, 2, 3, 4), and Cr-η↑(2)-NO in Solid Argon

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