N-硝基丙酰胺中的 N-H 活化：伯硝基酰胺的配位化学。

N-H activation in N-nitropropionamide: coordination chemistry of a primary nitroamide.

机构信息

Department of Chemistry, McGill University, Montreal, Canada.

出版信息

Inorg Chem. 2011 Apr 4;50(7):3135-40. doi: 10.1021/ic200090u. Epub 2011 Mar 10.

DOI:10.1021/ic200090u

Abstract

N-nitropropionamide, EtC(O)NHNO(2), oxidatively adds to Ir(Cl)(N(2))(PPh(3))(2) to give a η(2)-(N,O)-N-nitropropionamide anion bound to an Ir hydride complex. Single-crystal X-ray diffraction of the product indicates that it forms an unusual O-bound chelate through the nitro group. Density functional calculations for a model nickel complex, Ni(MeC(O)NNO(2))(CN)(2), are used to help distinguish the observed IR bands for the four possible conformations and binding geometries of this ligand.

摘要

N-硝基丙酰胺，EtC(O)NHNO(2)，可氧化加成到 Ir(Cl)(N(2))(PPh(3))(2)上，生成一个 η(2)-(N,O)-N-硝基丙酰胺阴离子，与一个 Ir 氢化物配合物结合。产物的单晶 X 射线衍射表明，它通过硝基形成一个不寻常的 O 配位螯合物。对一个模型镍配合物，Ni(MeC(O)NNO(2))(CN)(2)的密度泛函计算，用于帮助区分观察到的四个可能构象和配体的结合几何形状的 IR 带。