Ligand Identification in Titanium Complexes Using X-ray Valence-to-Core Emission Spectroscopy
Författare
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.
Avdelning/ar
Publiceringsår
2010
Språk
Engelska
Sidor
8323-8332
Publikation/Tidskrift/Serie
Inorganic Chemistry
Volym
49
Issue
18
Dokumenttyp
Artikel i tidskrift
Förlag
The American Chemical Society (ACS)
Ämne
- Physical Sciences
- Natural Sciences
Status
Published
ISBN/ISSN/Övrigt
- ISSN: 1520-510X