Tantalum Dioxide Complexes with Dinitrogen. Formation and Characterization of the Side-on and End-on Bonded TaO2(NN)x (x = 1−3) Complexes

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• 作者：Caixia Wang ; Jia Zhuang ; Guanjun Wang ; Mohua Chen ; Yanying Zhao ; Xuming Zheng ; Mingfei Zhou
• 刊名：Journal of Physical Chemistry A
• 出版年：2010
• 出版时间：August 12, 2010
• 年：2010
• 卷：114
• 期：31
• 页码：8083-8089
• 全文大小：261K
• 年卷期：v.114,no.31(August 12, 2010)
• ISSN：1520-5215

文摘

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 Ta₂O₅ target reacted with dinitrogen to form the TaO₂(η¹-NN)_x (x = 1−3) complexes on annealing, in which the N₂ ligands are end-on bonded to the tantalum metal center. The TaO₂(η¹-NN)₃ complex decomposed to TaO₂(η¹-NN)₂ under infrared irradiation. The TaO₂(η¹-NN)₂ and TaO₂(η¹-NN)₃ complexes rearranged to the less stable TaO₂(η¹-NN)(η²-N₂) and TaO₂((η¹-NN)₂(η²-N₂) isomers under visible light excitation. Both the mono- and bis-dinitrogen complexes were predicted to have ²A′ or ²A₁ ground states arising from the ²A₁ ground state of TaO₂, whereas the two tridinitrogen complexes were predicted to have ²B₂ ground states with C_2v symmetry, which are derived from the ²B₁ excited state of TaO₂.