X-ray absorption spectroscopy is a unique experimental technique that can provide ground state electronic structure information about transition metal complexes with unoccupied d-manifold. The quantitative treatments of pre-edge and rising-edge features have already been developed for the sulfur- and chlorine-ligand K-edge excitations. The complementarity of using multiple core excitation edges from hard, tender, and soft X-ray energy regions has been defined for the first paper of this series. The given study provides compelling evidence for the transferability of the empirical transition dipole integral from ligand K-edge to metal L-edge and back to ligand K-edge in the tender X-ray energy range. The case study was performed for a series ...
A new ab initio approach to the calculation of X-ray spectra is demonstrated. It combines a high-lev...
The ligand Kedges and metal Ledges of transition metal complexes are discussed within the perspectiv...
The K absorption pre-edge structure arises from excitations into the lowest unoccupied states that a...
A series of Cr complexes varying in oxidation state, ligand and geometry were studied with Cr K-edge...
Carl Ballhausen made a wide range of seminal contributions to ligand field theory and its applicatio...
Glaser T, Hedman B, Hodgson KO, Solomon EI. Ligand K-edge X-ray absorption spectroscopy: A direct pr...
The electric dipole contributions to the observed pre-edge intensities in ligand K-edge X-ray absorp...
The metal L-edge (2p -> 3d) X-ray absorption spectra are affected by a number of different intera...
Pd K-edge X-ray absorption near-edge spectroscopy (XANES) is used to probe the unoccupied molecular ...
The previous Reviews in Mineralogy volume on spectroscopic methods (Vol. 18 Spectroscopic Methods in...
In this work, we present a detailed comparison of wavefunction-based multireference (MR)techniques f...
In this work, we present a detailed comparison of wavefunction-based multireference (MR) techniques ...
International audienceWe first present an extended introduction of the various methods used to extra...
An overview is given of the interactions that determine the XANES spectral shapes of transition meta...
A new ab initio approach to the calculation of X-ray spectra is demonstrated. It combines a high-lev...
A new ab initio approach to the calculation of X-ray spectra is demonstrated. It combines a high-lev...
The ligand Kedges and metal Ledges of transition metal complexes are discussed within the perspectiv...
The K absorption pre-edge structure arises from excitations into the lowest unoccupied states that a...
A series of Cr complexes varying in oxidation state, ligand and geometry were studied with Cr K-edge...
Carl Ballhausen made a wide range of seminal contributions to ligand field theory and its applicatio...
Glaser T, Hedman B, Hodgson KO, Solomon EI. Ligand K-edge X-ray absorption spectroscopy: A direct pr...
The electric dipole contributions to the observed pre-edge intensities in ligand K-edge X-ray absorp...
The metal L-edge (2p -> 3d) X-ray absorption spectra are affected by a number of different intera...
Pd K-edge X-ray absorption near-edge spectroscopy (XANES) is used to probe the unoccupied molecular ...
The previous Reviews in Mineralogy volume on spectroscopic methods (Vol. 18 Spectroscopic Methods in...
In this work, we present a detailed comparison of wavefunction-based multireference (MR)techniques f...
In this work, we present a detailed comparison of wavefunction-based multireference (MR) techniques ...
International audienceWe first present an extended introduction of the various methods used to extra...
An overview is given of the interactions that determine the XANES spectral shapes of transition meta...
A new ab initio approach to the calculation of X-ray spectra is demonstrated. It combines a high-lev...
A new ab initio approach to the calculation of X-ray spectra is demonstrated. It combines a high-lev...
The ligand Kedges and metal Ledges of transition metal complexes are discussed within the perspectiv...
The K absorption pre-edge structure arises from excitations into the lowest unoccupied states that a...