Steric Effects on Dinitrogen Cleavage by Three-Coordinate Molybdenum(III) Complexes: A Molecular Mechanics Study

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• 作者：Jutta Hahn ; Clark R. Landis ; Vladimir A. Nasluzov ; Konstantin M. Neyman ; and Notker Rö ; sch
• 刊名：Inorganic Chemistry
• 出版年：1997
• 出版时间：August 27, 1997
• 年：1997
• 卷：36
• 期：18
• 页码：3947 - 3951
• 全文大小：142K
• 年卷期：v.36,no.18(August 27, 1997)
• ISSN：1520-510X

文摘

The universal force field approach is used toinvestigate the steric demand in nitrogen molecule cleavagebythree-coordinate molybdenum complexes MoL₃ of differentligand types L (L = NH₂, NMe₂,N(mesityl)(tert-butyl), O(tert-butyl), Me, tert-butyl, neopentyl).Calculated geometries of the intermediatesL₃Mo-N₂-MoL₃,of the products L₃MoN, and of the undersirable sideproduct dimers L₃MoMoL₃ are presented.The primary roleof ligand sterics appears to be the prevention of dimerization ofMoL₃ monomers.