New Features Observed in Self-Absorption-Corrected X-ray Fluorescence Spectra for Ni Complexes with Uncertainties

Abstract

We present a new technology for analyzing the molecular structure and in particular subtle conformational differences in Ni complexes using X-ray absorption spectroscopy (XAS), enabling tighter and more robust constraints of structure and dynamic bond lengths. Self-absorption and attenuating effects have a large impact in fluorescence X-ray absorption spectroscopy (XAS), compromising accuracy and insight in structural and advanced analyses. We correct for these dominant systematic effects. We investigate nickel(II) complexes, that is, bis(N-n-propyl-salicylaldiminato) nickel(II), "n-pr", and bis(N-i-propyl-salicylaldiminato) nickel(II), "i-pr", in 15 mM solutions with 0.1% w/w Ni. One is "sq..