Correlation between the Chemical Shifts in X-Ray Absorption Spectra of Ionic Solids and Contribution to the Chemical Bond

1978 ◽  
Vol 88 (1) ◽  
pp. K35-K38 ◽  
Author(s):  
P. R. Sarode
Keyword(s):  
Chemical Bond ◽  
Absorption Spectra ◽  
Chemical Shifts ◽  
X Ray ◽  
Ionic Solids ◽  
X Ray Absorption

Effective Nuclear Charge and Chemical Shifts in X-Ray Absorption Spectra of Polymeric Copper(II) Salicylhydroxamates

1989 ◽  
Vol 28 (Part 1, No. 4) ◽  
pp. 709-712 ◽  
Author(s):  
Padmakar V. Khadikar ◽  
Nolan F. Mangelson ◽  
Sadhana P. Pandharkar
Keyword(s):  
Absorption Spectra ◽  
Nuclear Charge ◽  
Chemical Shifts ◽  
Effective Nuclear Charge ◽  
X Ray ◽  
X Ray Absorption

Chemical shifts of the K X-ray absorption discontinuity of manganese in some compounds

1982 ◽  
Vol 79 ◽  
pp. 325-329 ◽  
Author(s):  
M. Y. Apte ◽  
C. Mandé ◽  
J. P. Suchet
Keyword(s):  
Chemical Shifts ◽  
X Ray ◽  
X Ray Absorption

Electronic Structure and X-ray Absorption Spectra of Rutile TiO2 Using First-Principles Calculations

2014 ◽  
Vol 52 (12) ◽  
pp. 1025-1029
Author(s):  
Min-Wook Oh ◽  
Tae-Gu Kang ◽  
Byungki Ryu ◽  
Ji Eun Lee ◽  
Sung-Jae Joo ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Absorption Spectra ◽  
First Principles ◽  
First Principles Calculations ◽  
Rutile Tio2 ◽  
X Ray ◽  
X Ray Absorption

scholarly journals Theoretical description of optical and x-ray absorption spectra of MgO including many-body effects

2021 ◽  
Vol 103 (19) ◽  
Author(s):  
Vijaya Begum ◽  
Markus E. Gruner ◽  
Christian Vorwerk ◽  
Claudia Draxl ◽  
Rossitza Pentcheva
Keyword(s):  
Absorption Spectra ◽  
Theoretical Description ◽  
Many Body ◽  
X Ray ◽  
Many Body Effects ◽  
X Ray Absorption

History and Cross-Disciplinary Perspective of Compositional Imaging and Mapping With Nexafs Microscopy

1998 ◽  
Vol 4 (S2) ◽  
pp. 154-155
Author(s):  
H. Ade
Keyword(s):  
Electronic Structures ◽  
Chemical Shifts ◽  
Electronic States ◽  
Inorganic Materials ◽  
Chemical Bonds ◽  
Fundamental Physics ◽  
X Ray ◽  
Disciplinary Perspective ◽  
Core Electrons ◽  
X Ray Absorption

In Near Edge X-ray Absorption Fine Structure (NEXAFS) microscopy, excitations of core electrons into unoccupied molecular orbitals or electronic states provide sensitivity to a wide variety of chemical functionalities in molecules and solids. This sensitivity complements infrared (IR) spectroscopy, although the NEXAFS spectra are not quite as specific and “rich” as IR spectra. The sensitivity of NEXAFS to distinguish chemical bonds and electronic structures covers a wide variety of samples: from metals to inorganics and organics. (There is a tendency in the community to use the term NEXAFS for soft x-ray spectroscopy of organic materials, while for inorganic materials or at higher energies X-ray Absorption Near Edge Spectroscopy (XANES) is utilized, even though the fundamental physics is the same.) The sensitivity of NEXAFS is particularly high to distinguish saturated from unsaturated bonds. NEXAFS can also detect conjugation in a molecule, as well as chemical shifts due to heteroatoms.

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