Site-selective soft X-ray absorption as a tool to study protonation and electronic structure of gas-phase DNA

Electronic structure of InN studied using soft x-ray emission, soft x-ray absorption, and quasiparticle band structure calculations

The electronic structure of wurtzite InN 0001̄ thin films has been studied using a combination of soft x-ray emission and absorption spectroscopies. We measured the elementally and orbitally resolved InN valence and conduction bands by recording the N K-edge spectra. Theoretical calculations of the N 2p partial density of states were performed within the GW framework of many body perturbation th...

Electronic structure of ilmenite: X-ray absorption and DFT study

The experimental Ti K-edge X-ray absorption near edge structure (XANES) spectrum of the mineral ilmenite was recorded. The theoretical Ti K-XANES spectra of ilmenite were simulated using both the self-consistent real-space full-multiple scattering theory within the muffin-tin approximation for the potential shape and the full-potential finite difference method. The comparison of the theoretical...

Soft x-ray absorption and emission spectra and the electronic structure of the Ba2YCu3O7-x superconductor.

X-Ray, Crystal Structure and Solution Phase Studies of a Polymeric SrII Compound

In the crystal structure of the title polymeric compound, [C42H38N6O33Sr5.2(H2O)]n, five independent metal atoms (Sr1-Sr5) have different coordination environments. The Sr1 and Sr5 atoms are nine coordinated and feature distorted tricapped trigonal-prismatic and capped square-antiprismatic geometries, respectively....

Near-edge X-ray absorption fine structure spectra and site-selective dissociation of phenol.

A time-of-flight mass spectrometer with orthogonal acceleration and soft X-rays from synchrotron radiation were utilized to measure near-edge X-ray absorption fine structure (NEXAFS) spectra of carbon and oxygen in phenol and the corresponding ionic fragments following core excitation. The photon energies were in the range of 284-298 eV for the carbon K-edge and 529.5-554.5 eV for the oxygen K-...