scholarly journals Electronic structures of cyclometalated palladium complexes in the higher oxidation states

2015 ◽  
Vol 44 (37) ◽  
pp. 16586-16591 ◽  
Author(s):  
Bao N. Nguyen ◽  
Luis A. Adrio ◽  
Tim Albrecht ◽  
Andrew J. P. White ◽  
Mark A. Newton ◽  
...  
Keyword(s):  
Absorption Spectroscopy ◽  
Electronic Structures ◽  
Theoretical Calculations ◽  
Palladium Complexes ◽  
Oxidation States ◽  
X Ray ◽  
X Ray Crystallography

Electronic structures of Pd(ii), Pd(iii) and Pd(iv) complexes were examined using X-ray crystallography and absorption spectroscopy, supplemented by theoretical calculations.

Observation of charge bistability in quasi-one-dimensional halogen-bridged palladium complexes by X-ray absorption spectroscopy

2019 ◽  
Vol 48 (31) ◽  
pp. 11628-11631 ◽  
Author(s):  
Takefumi Yoshida ◽  
Shinya Takaishi ◽  
Shohei Kumagai ◽  
Hiroaki Iguchi ◽  
Mohammad Rasel Mian ◽  
...  
Keyword(s):  
Absorption Spectroscopy ◽  
Palladium Complexes ◽  
Oxidation States ◽  
One Dimensional ◽  
X Ray ◽  
Chain Compounds ◽  
X Ray Absorption

XAFS measurements were performed on three representative bromo-bridged palladium chain compounds to detect their oxidation states.

ChemInform Abstract: Synthesis of cis-1-((2-Hydroxymethyl)cyclopentyl)uracil and Determination of Its Conformation by X-Ray Crystallography and AM1 Theoretical Calculations.

ChemInform ◽  
2010 ◽  
Vol 27 (43) ◽  
pp. no-no
Author(s):  
L. SANTANA ◽  
M. TEIJEIRA ◽  
E. URIARTE ◽  
C. TERAN ◽  
U. CASELLATO ◽  
...  
Keyword(s):  
Theoretical Calculations ◽  
X Ray ◽  
X Ray Crystallography

How big is big? Separation by conventional methods, X-ray and electronic structures of positional isomers of bis-tert-butylisocyano adduct of 2(3),9(10),16(17),23(24)-tetrachloro-3(2),10(9),17(16),24(23)-tetra(2,6-di-iso-propylphenoxy)-phthalocyaninato iron(II) complex

2016 ◽  
Vol 20 (01n04) ◽  
pp. 337-351 ◽  
Author(s):  
Derrick R. Anderson ◽  
Pavlo V. Solntsev ◽  
Hannah M. Rhoda ◽  
Victor N. Nemykin
Keyword(s):  
Electronic Structures ◽  
Density Functional ◽  
Positional Isomers ◽  
Excitation Energies ◽  
Functional Theory ◽  
X Ray ◽  
Vertical Excitation ◽  
X Ray Crystallography ◽  
Tddft Calculations ◽  
Insight Into

A presence of bulky 2,6-di-iso-propylphenoxy groups in bis-tert-butylisocyano adduct of 2(3),9(10),16(17),23(24)-tetrachloro-3(2),10(9),17(16),24(23)-tetra(2,6-di-iso-propylphenoxy)-phthalocyaninato iron(II) complex allows separation of two individual positional isomers and a mixture of the remaining two isomers using conventional chromatography. X-ray structures of “[Formula: see text]” and “[Formula: see text]” isomers were confimed by X-ray crystallography. Density functional theory (DFT) and time-dependent DFT (TDDFT) calculations of each individual positional isomer allowed insight into their electronic structures and vertical excitation energies, which were correlated with the experimental UV-vis and MCD spectra.

scholarly journals Probing the variability in oxidation states of magnetite nanoparticles by single-particle spectroscopy

2018 ◽  
Vol 6 (4) ◽  
pp. 875-882 ◽  
Author(s):  
A. Fraile Rodríguez ◽  
C. Moya ◽  
M. Escoda-Torroella ◽  
A. Romero ◽  
A. Labarta ◽  
...  
Keyword(s):  
Oxidation State ◽  
Absorption Spectroscopy ◽  
Magnetite Nanoparticles ◽  
Single Particle ◽  
Cation Distribution ◽  
Oxidation States ◽  
Magnetic Response ◽  
X Ray ◽  
Single Particle Spectroscopy ◽  
X Ray Absorption

Single-particle X-ray absorption spectroscopy reveals that the oxidation state and cation distribution of individual magnetite nanoparticles may be largely heterogeneous even when the macroscopic structural and magnetic response of the ensembles is uniform.

Assignment of the oxidation states of Zr and Co in a highly reactive heterobimetallic Zr/Co complex using X-ray absorption spectroscopy (XANES)

2014 ◽  
Vol 43 (37) ◽  
pp. 13852 ◽  
Author(s):  
Jeremy P. Krogman ◽  
James R. Gallagher ◽  
Guanghui Zhang ◽  
Adam S. Hock ◽  
Jeffrey T. Miller ◽  
...  
Keyword(s):  
Absorption Spectroscopy ◽  
Oxidation States ◽  
X Ray ◽  
X Ray Absorption

Electronic structure of NixTiSe2 (0.05 ≤ x ≤ 0.46) compounds with ordered and disordered Ni

2017 ◽  
Vol 19 (6) ◽  
pp. 4500-4506 ◽  
Author(s):  
A. S. Shkvarin ◽  
Yu. M. Yarmoshenko ◽  
A. I. Merentsov ◽  
Yu. M. Zhukov ◽  
A. A. Titov ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Absorption Spectroscopy ◽  
Theoretical Calculations ◽  
Electronic States ◽  
Intercalation Compounds ◽  
X Ray ◽  
Density Of Electronic States ◽  
X Ray Absorption

The electronic structure of NixTiSe2 intercalation compounds with disordered and ordered Ni atoms is studied using photoelectron, resonant photoelectron and X-ray absorption spectroscopy, theoretical calculations of the X-ray spectra and density of electronic states.

X-Ray Absorption Spectroscopy of Organouranium Compounds in the (+V) and (+IV) Oxidation States

1997 ◽  
Vol 76 (4) ◽  
Author(s):  
C. Den Auwer ◽  
C. Madie ◽  
J. C. Berthet ◽  
M. Ephritikhine ◽  
J. J. Rehr ◽  
...  
Keyword(s):  
Absorption Spectroscopy ◽  
Oxidation States ◽  
X Ray ◽  
X Ray Absorption
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