Application of XANES spectroscopy to study local structure of photoexcited Cu complex

Grigory Smolentsev*, Galina Sukharina, Alexander V. Soldatov, Lin X. Chen

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

6 Scopus citations


A new technique for the analysis of transient X-ray absorption (also known as pump-and-probe XAS) and extraction of 3D structural information for photoexcited molecules is proposed. It is applied to metal-to-ligand-charge-transfer state of [Cu(dmp)2]+ (dmp=2,9-dimethyl-1,10-phenanthroline) in acetonitrile solution. Theoretical approach combines fitting of XANES spectra with a multidimensional interpolation approximation and calculating theoretical XANES with molecular potentials beyond the muffin-tin approximation. The results of the study show that the best fit of the experimental XANES data includes a solvent molecule binding to the Cu with Cu-N distance of 2.00 Å, average distance Cu-N of dmp groups is 2.04 Å and that photoexcited state is characterized by significant rocking distortions of the dmp ligands.

Original languageEnglish (US)
Pages (from-to)122-124
Number of pages3
JournalNuclear Instruments and Methods in Physics Research, Section A: Accelerators, Spectrometers, Detectors and Associated Equipment
Issue number1-2
StatePublished - May 11 2009


  • FitIt
  • Photoexcitation
  • Pump-and-probe

ASJC Scopus subject areas

  • Nuclear and High Energy Physics
  • Instrumentation


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