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...

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Publicado en:	Journal of the American Chemical Society Vol. 128; no. 25; pp. 8286 - 8297
Autores principales:	Sarangi, Ritimukta, Aboelella, Nermeen, Fujisawa, Kiyoshi, Tolman, William B., Hedman, Britt, Hodgson, Keith O., Solomon, Edward I.
Formato:	Artículo
Publicado:	American Chemical Society 6/28/2006
Materias:	Spectrum analysis Chemical bonds Density functionals Functional analysis Synchrotron radiation Electromagnetic waves
Acceso en línea:	Ver este registro en EBSCOhost