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Ligand Identification in Titanium Complexes Using X-ray Valence-to-Core Emission Spectroscopy

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Author

  • Janine C. Swarbrick
  • Yaroslav Kvashnin
  • Karina Schulte
  • Kalaivani Seenivasan
  • Carlo Lamberti
  • Pieter Glatzel

Summary, in English

The identification of ligands in metalloorganic complexes is crucial for understanding many important biological and chemical systems. Nonresonant K beta valence-to-core X-ray emission spectroscopy (XES) has been demonstrated as a ligand identification technique which is complementary to other spectroscopies, such as X-ray absorption. In this study we show the K beta valence-to-core XES alongside the Ti K-edge X-ray absorption near edge structure spectra for a series of chemically relevant low-symmetry Ti organometallic complexes. The spectra are modeled using density functional theory calculations. XES spectra are analyzed in terms of the molecular orbitals probed, in order to understand the effects of bond length, bond nature, orbital hybridization, and molecular symmetry on the observed spectral features.

Department/s

Publishing year

2010

Language

English

Pages

8323-8332

Publication/Series

Inorganic Chemistry

Volume

49

Issue

18

Document type

Journal article

Publisher

The American Chemical Society (ACS)

Topic

  • Physical Sciences
  • Natural Sciences

Status

Published

ISBN/ISSN/Other

  • ISSN: 1520-510X