Cover Image
QR Code

X-ray Absorption Edge Spectroscopy and Computational Studies on LCuO Species: Superoxide—Cu versus Peroxide—Cu Bonding.

The geometric and electronic structures of two mononuclear CuO complexes, [Cu(O){HB(3-Ad-5-Prpz)}] (1) and [Cu(O)(β-diketiminate)] (2), have been evaluated using Cu K- and L-edge X-ray absorption spectroscopy (XAS) studies in combination with valence bond configuration interaction (VBCI) simulations...

Full description

Published in:Journal of the American Chemical Society Vol. 128; no. 25; pp. 8286 - 8297
Main Authors: Sarangi, Ritimukta, Aboelella, Nermeen, Fujisawa, Kiyoshi, Tolman, William B., Hedman, Britt, Hodgson, Keith O., Solomon, Edward I.
Format: Article
Published: American Chemical Society 6/28/2006
Subjects:
Spectrum analysis
Chemical bonds
Density functionals
Functional analysis
Synchrotron radiation
Electromagnetic waves
Online Access:View this record in EBSCOhost