scholarly journals Conclusively Addressing the CoPc Electronic Structure: A Joint Gas-Phase and Solid-State Photoemission and Absorption Spectroscopy Study

2017 ◽  
Vol 121 (47) ◽  
pp. 26372-26378 ◽  
Author(s):  
T. Zhang ◽  
I. E. Brumboiu ◽  
V. Lanzilotto ◽  
J. Lüder ◽  
C. Grazioli ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Solid State ◽  
Gas Phase ◽  
Absorption Spectroscopy ◽  
Spectroscopy Study

X-ray absorption spectroscopy study of the electronic structure and local coordination of 1st row transition metal-promoted Chevrel-phase sulfides

2019 ◽  
Vol 72 (8) ◽  
pp. 1322-1335 ◽  
Author(s):  
Joseph T. Perryman ◽  
Forrest P. Hyler ◽  
Jessica C. Ortiz-Rodríguez ◽  
Apurva Mehta ◽  
Ambarish R. Kulkarni ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Transition Metal ◽  
Absorption Spectroscopy ◽  
Spectroscopy Study ◽  
X Ray ◽  
Local Coordination ◽  
Chevrel Phase ◽  
X Ray Absorption

Photoelectron spectra and electronic structure of cyanoguanidine in the gas phase and solid state

1981 ◽  
Vol 77 (4) ◽  
pp. 683 ◽  
Author(s):  
David Briggs ◽  
Martyn F. Guest ◽  
Ian H. Hillier ◽  
Michael J. Knight ◽  
Alastair A. MacDowell
Keyword(s):  
Electronic Structure ◽  
Solid State ◽  
Gas Phase ◽  
Photoelectron Spectra

Resonant photoemission and absorption spectroscopy study of the Cr x Ti1−x Se2 electronic structure

2011 ◽  
Vol 52 (S1) ◽  
pp. 70-75 ◽  
Author(s):  
A. S. Shkvarin ◽  
Yu. M. Yarmoshenko ◽  
N. A. Skorikov ◽  
A. I. Merentsov ◽  
A. N. Titov
Keyword(s):  
Electronic Structure ◽  
Absorption Spectroscopy ◽  
Spectroscopy Study ◽  
Resonant Photoemission

Anisotropic charge-transfer effects in the asymmetric Fe(CN)5NO octahedron of sodium nitroprusside: a soft X-ray absorption spectroscopy study

2014 ◽  
Vol 16 (15) ◽  
pp. 7031-7036 ◽  
Author(s):  
Yu̅suke Nanba ◽  
Daisuke Asakura ◽  
Masashi Okubo ◽  
Haoshen Zhou ◽  
Kenta Amemiya ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Charge Transfer ◽  
Sodium Nitroprusside ◽  
Absorption Spectroscopy ◽  
Configuration Interaction ◽  
Cluster Model ◽  
Spectroscopy Study ◽  
Transfer Effects ◽  
X Ray ◽  
X Ray Absorption

The electronic structure of Na2[Fe(CN)5NO]·2H2O (sodium nitroprusside: SNP) was investigated by using soft X-ray absorption (XA) spectroscopy and a configuration-interaction full-multiplet calculation for the [Fe(CN)5NO]2−cluster model.

scholarly journals Self-association of organic solutes in solution: a NEXAFS study of aqueous imidazole

2015 ◽  
Vol 179 ◽  
pp. 269-289 ◽  
Author(s):  
M. J. Thomason ◽  
C. R. Seabourne ◽  
B. M. Sattelle ◽  
G. A. Hembury ◽  
J. S. Stevens ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Solid State ◽  
Gas Phase ◽  
Computational Modelling ◽  
Organic Solutes ◽  
Nexafs Spectrum ◽  
Structural Environment ◽  
Self Association ◽  
X Ray Absorption ◽  
Complete Interpretation

N K-edge near-edge X-ray absorption fine-structure (NEXAFS) spectra of imidazole in concentrated aqueous solutions have been acquired. The NEXAFS spectra of the solution species differ significantly from those of imidazole monomers in the gas phase and in the solid state of imidazole, demonstrating the strong sensitivity of NEXAFS to the local chemical and structural environment. In a concentration range from 0.5 to 8.2 mol L−1 the NEXAFS spectrum of aqueous imidazole does not change strongly, confirming previous suggestions that imidazole self-associates are already present at concentrations more dilute than the range investigated here. We show that various types of electronic structure calculations (Gaussian, StoBe, CASTEP) provide a consistent and complete interpretation of all features in the gas phase and solid state spectra based on ground state electronic structure. This suggests that such computational modelling of experimental NEXAFS will permit an incisive analysis of the molecular interactions of organic solutes in solutions. It is confirmed that microhydrated clusters with a single imidazole molecule are poor models of imidazole in aqueous solution. Our analysis indicates that models including both a hydrogen-bonded network of hydrate molecules, and imidazole–imidazole interactions, are necessary to explain the electronic structure evident in the NEXAFS spectra.

scholarly journals On the Electronic Structure of Cu Chlorophyllin and Its Breakdown Products: A Carbon K-Edge X-ray Absorption Spectroscopy Study

2018 ◽  
Vol 122 (6) ◽  
pp. 1846-1851 ◽  
Author(s):  
Katharina Witte ◽  
Ioanna Mantouvalou ◽  
Rocío Sánchez-de-Armas ◽  
Heiko Lokstein ◽  
Janina Lebendig-Kuhla ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Absorption Spectroscopy ◽  
Spectroscopy Study ◽  
X Ray ◽  
X Ray Absorption
Sign in / Sign up

Export Citation Format

Share Document