首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >Reactions of Laser-Ablated Vanadium Atoms with Nitric Oxide. Infrared Spectra and Density Functional Calculations on NVO, V-#eta#~1-NO, V-(#eta#~1-NO)_2, V-(#eta#-NO)_3, and V-#eta#-NO
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Reactions of Laser-Ablated Vanadium Atoms with Nitric Oxide. Infrared Spectra and Density Functional Calculations on NVO, V-#eta#~1-NO, V-(#eta#~1-NO)_2, V-(#eta#-NO)_3, and V-#eta#-NO

机译:激光烧蚀钒原子与一氧化氮的反应。 NVO,V-#eta#〜1-NO,V-(#eta#〜1-NO)_2,V-(#eta#-NO)_3和V-#eta#-的红外光谱和密度泛函计算没有

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摘要

Laser-ablated vanadium atoms have been reacted with NO molecules during condensation in excess argon, Absorptions due to NVO (998.1,906.4 cm~(-1)), V_#eta#~1-NO(1606.0 cm~(-1)), V-#eta#~2-NO(1075.7 cm~(-1)) and V-(#eta#~2-NO)_2 (1119.6,1153.8 cm~(-1)) are observed and identified via isotopic substitution and DFT calculations. Higher nitrosyls are also formed on annealing. On the basis of the observed isotopic splitting, bands at 1614.5 and 1715.1 and 1736.8 cm~(-1) are assigned to antisymmetric and symmetric N-O vibrations of the C_2#upsilon# dinitrosyl V(NO)_2, and 1715.1 and 1850.6 cm~(-1) bands are assigned to the analogous vibrations of V(NO)_3 with C_3#upsilon# symmetry. The observation of (VO), (N_2O) and (N_2), (VO_2) complexes suggests that V atoms also react with (NO)_2 in these experiments.
机译:激光烧蚀的钒原子在过量氩气中的冷凝过程中已与NO分子反应,这是由于NVO(998.1,906.4 cm〜(-1)),V_#eta#〜1-NO(1606.0 cm〜(-1))引起的吸收观察到并通过同位素取代鉴定出V-#eta#〜2-NO(1075.7 cm〜(-1))和V-(#eta#〜2-NO)_2(1119.6,1153.8 cm〜(-1))和DFT计算。退火时也会形成高级亚硝酰基。根据观察到的同位素分裂,将1614.5和1715.1和1736.8 cm〜(-1)的谱带分配给C_2#upsilon#二亚硝基V(NO)_2的反对称和对称NO振动,以及1715.1和1850.6 cm〜( -1)频带分配给具有C_3#upsilon#对称性的V(NO)_3的类似振动。对(VO),(N_2O)和(N_2),(VO_2)配合物的观察表明,在这些实验中,V原子也与(NO)_2反应。

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