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Diazene Complexes of Copper: Synthesis, Spectroscopic Analysis, and Electronic Structure
Author(s) -
Fujisawa Kiyoshi,
Lehnert Nicolai,
Ishikawa Yoko,
Okamoto Kenichi
Publication year - 2004
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.200460415
Subject(s) - antibonding molecular orbital , copper , boron , raman spectroscopy , crystallography , resonance raman spectroscopy , chemistry , homo/lumo , spectroscopy , density functional theory , photochemistry , resonance (particle physics) , absorption spectroscopy , proton nmr , molecule , computational chemistry , stereochemistry , atomic orbital , organic chemistry , physics , optics , atomic physics , quantum mechanics , electron
A strong antibonding π interaction has been shown by density functional calculations (see LUMO MO graph) to be a key characteristic of two new Cu I –diazene complexes with hydrotris(pyrazolyl)borate ligands. The complexes have been further characterized by X‐ray crystallography as well as 1 H NMR, UV/Vis absorption, IR, far‐IR, and resonance Raman spectroscopy.