Reactions of Laser-Ablated Scandium Atoms with Nitrogen: Matrix Infrared Spectra and DFT Calculations for Scandium Nitrides and the Fixation of Nitrogen by Two Scandium Atoms

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• 作者：George V. Chertihin ; Lester Andrews ; and Charles W. Bauschlicher ; Jr.
• 刊名：Journal of the American Chemical Society
• 出版年：1998
• 出版时间：April 8, 1998
• 年：1998
• 卷：120
• 期：13
• 页码：3205 - 3212
• 全文大小：303K
• 年卷期：v.120,no.13(April 8, 1998)
• ISSN：1520-5126

文摘

Laser-ablated Sc atoms react with nitrogen to form ScN,Sc(N₂) and (ScN)₂ and theirN₂-ligatedcounterparts. These identifications are based on nitrogen-15isotopic shifts and agreement with DFT vibrationalfrequency calculations. It is noteworthy that annealed argonmatrix samples containing 2% N₂ give almostthe same absorptions as nitrogen matrix samples for the ligatedcomplexes (NN)_xScN and(ScN)₂(NN)_x.Therhombic (ScN)₂ molecule is made by reaction of a second Scatom with an intermediate ScN₂ species and,thus, provides a method of nitrogen fixation with naked metalatoms.