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首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >Tantalum dioxide complexes with dinitrogen. formation and characterization of the side-on and end-on bonded TaO_2(NN)_x (x = 1-3) complexes
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Tantalum dioxide complexes with dinitrogen. formation and characterization of the side-on and end-on bonded TaO_2(NN)_x (x = 1-3) complexes

机译：二氧化钽与二氮的络合物。 TaO_2（NN）_x（x = 1-3）配合物的侧面形成和表征

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摘要

The reaction of tantalum dioxide molecule with dinitrogen has been studied by matrix isolation infrared spectroscopy. The tantalum dioxide molecules produced from laser evaporation of bulk Ta_2O_5 target reacted with dinitrogen to form the TaO_2(η~1-NN) _x (x = 1-3) complexes on annealing, in which the N2 ligands are end-on bonded to the tantalum metal center. The TaO_2(η ~1-NN)_3 complex decomposed to TaO2(η~1-NN) _2 under infrared irradiation. The TaO_2(η~1- NN)_2 and TaO_2(η~1-NN)_3 complexes rearranged to the less stable TaO_2(η~1NN) (η~2-N_2) and TaO_2((η~1-NN) _2(η~2-N_2) isomers under visible light excitation. Both the mono- and bis-dinitrogen complexes were predicted to have ~2A' or ~2A_1 ground states arising from, the ~2A_1 ground state of TaO_2, whereas the two tridinitrogen complexes were predicted to have ~2B_2 ground states with C_(2v), symmetry, which are derived from the ~2B_1 excited state of TaO_2.
机译：通过基质隔离红外光谱研究了二氧化钽分子与二氮的反应。大量Ta_2O_5靶的激光蒸发产生的二氧化钽分子在退火后与二氮反应形成TaO_2（η〜1-NN）_x（x = 1-3）络合物，其中N2配体端对端键合到钽金属中心。 TaO_2（η〜1-NN）_3配合物在红外光下分解为TaO2（η〜1-NN）_2。 TaO_2（η〜1-NN）_2和TaO_2（η〜1-NN）_3络合物重排为不稳定的TaO_2（η〜1NN）（η〜2-N_2）和TaO_2（（η〜1-NN）_2 （η〜2-N_2）异构体在可见光激发下，据预测，单-和双-二氮配合物都具有〜2A'或〜2A_1基态，这是由TaO_2的〜2A_1基态引起的，而这两个是三二氮配合物据推测，它们具有约2B_2个基态，具有对称的C_（2v），这是由TaO_2的〜2B_1激发态得出的。

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