Magnetic circular dichroism of UCl6− in the ligand-to-metal charge-transfer spectral region

Frédéric Gendron; Valerie E. Fleischauer; Thomas J. Duignan; Brian L. Scott; Matthias W. Löble; Samantha K. Cary; Stosh A. Kozimor; Hélène Bolvin; Michael L. Neidig; Jochen Autschbach

doi:10.1039/c7cp02572f

Magnetic circular dichroism of UCl6− in the ligand-to-metal charge-transfer spectral region

Physical Chemistry Chemical Physics ◽

10.1039/c7cp02572f ◽

2017 ◽

Vol 19 (26) ◽

pp. 17300-17313 ◽

Cited By ~ 16

Author(s):

Frédéric Gendron ◽

Valerie E. Fleischauer ◽

Thomas J. Duignan ◽

Brian L. Scott ◽

Matthias W. Löble ◽

...

Keyword(s):

Experimental Study ◽

Circular Dichroism ◽

Charge Transfer ◽

Ab Initio ◽

Spectral Region ◽

Magnetic Circular Dichroism ◽

Metal Charge ◽

Circular Dichroïsm ◽

Metal Charge Transfer ◽

Complex Ion

We present a combined ab initio theoretical and experimental study of the magnetic circular dichroism (MCD) spectrum of the octahedral UCl6− complex ion in the UV-Vis spectral region.

Download Full-text

Multireference ab initio studies of zero-field splitting and magnetic circular dichroism spectra of tetrahedral Co(ii) complexes

Dalton Transactions ◽

10.1039/b902743b ◽

2009 ◽

pp. 6021 ◽

Cited By ~ 51

Author(s):

Mahesh Sundararajan ◽

Dmitry Ganyushin ◽

Shengfa Ye ◽

Frank Neese

Keyword(s):

Circular Dichroism ◽

Ab Initio ◽

Magnetic Circular Dichroism ◽

Zero Field ◽

Zero Field Splitting ◽

Circular Dichroism Spectra ◽

Field Splitting ◽

Circular Dichroïsm ◽

Magnetic Circular Dichroism Spectra

Download Full-text

Bonding studies from charge-transfer absorption and magnetic circular dichroism spectra. Part 4.—Facial isomers of MCl3L3

Journal of the Chemical Society Faraday Transactions 2 Molecular and Chemical Physics ◽

10.1039/f29736901779 ◽

1973 ◽

Vol 69 (0) ◽

pp. 1779-1784 ◽

Cited By ~ 2

Author(s):

Anthony J. McCaffery ◽

Michael D. Rowe

Keyword(s):

Circular Dichroism ◽

Charge Transfer ◽

Magnetic Circular Dichroism ◽

Circular Dichroism Spectra ◽

Circular Dichroïsm ◽

Magnetic Circular Dichroism Spectra

Download Full-text

Magnetic anisotropy and X-ray magnetic circular dichroism of MnNi surface alloy: Ab initio studies

Surface Science ◽

10.1016/j.susc.2007.04.034 ◽

2007 ◽

Vol 601 (11) ◽

pp. 2384-2389 ◽

Cited By ~ 2

Author(s):

Jisang Hong

Keyword(s):

Circular Dichroism ◽

Magnetic Anisotropy ◽

Ab Initio ◽

Magnetic Circular Dichroism ◽

Surface Alloy ◽

X Ray ◽

Circular Dichroïsm

Download Full-text

Ab initio calculation of magnetic circular dichroism

Wiley Interdisciplinary Reviews Computational Molecular Science ◽

10.1002/wcms.1091 ◽

2012 ◽

Vol 2 (3) ◽

pp. 443-455 ◽

Cited By ~ 20

Author(s):

Thomas Kjaergaard ◽

Sonia Coriani ◽

Kenneth Ruud

Keyword(s):

Circular Dichroism ◽

Ab Initio ◽

Ab Initio Calculation ◽

Magnetic Circular Dichroism ◽

Circular Dichroïsm

Download Full-text

Magnetic structures of FeTiO3-Fe2O3 solid solution thin films studied by soft X-ray magnetic circular dichroism and ab initio multiplet calculations

Applied Physics Letters ◽

10.1063/1.4868638 ◽

2014 ◽

Vol 104 (11) ◽

pp. 112408 ◽

Cited By ~ 7

Author(s):

H. Hojo ◽

K. Fujita ◽

H. Ikeno ◽

T. Matoba ◽

T. Mizoguchi ◽

...

Keyword(s):

Thin Films ◽

Solid Solution ◽

Circular Dichroism ◽

Ab Initio ◽

Magnetic Circular Dichroism ◽

X Ray ◽

Magnetic Structures ◽

Circular Dichroïsm

Download Full-text

An ab Initio Linear Response Method for Computing Magnetic Circular Dichroism Spectra with Nonperturbative Treatment of Magnetic Field

Journal of Chemical Theory and Computation ◽

10.1021/acs.jctc.9b00095 ◽

2019 ◽

Vol 15 (5) ◽

pp. 3162-3169 ◽

Cited By ~ 8

Author(s):

Shichao Sun ◽

David Williams-Young ◽

Xiaosong Li

Keyword(s):

Magnetic Field ◽

Circular Dichroism ◽

Ab Initio ◽

Linear Response ◽

Magnetic Circular Dichroism ◽

Circular Dichroism Spectra ◽

Response Method ◽

Circular Dichroïsm ◽

Magnetic Circular Dichroism Spectra

Download Full-text

Applications of Magnetic Circular Dichroism to Charge Transfer and Ligand Field Spectra

Electronic States of Inorganic Compounds: New Experimental Techniques ◽

10.1007/978-94-010-1860-9_8 ◽

1975 ◽

pp. 177-221 ◽

Cited By ~ 1

Author(s):

B. Briat

Keyword(s):

Circular Dichroism ◽

Charge Transfer ◽

Magnetic Circular Dichroism ◽

Ligand Field ◽

Ligand Field Spectra ◽

Circular Dichroïsm

Download Full-text

Bonding studies from charge-transfer absorption and magnetic circular dichroism spectra. Part II. The complex hexacyanoferrate(III) and pentacyanoferrate(III) complexes of C4v , symmetry

Journal of the Chemical Society Dalton Transactions ◽

10.1039/dt9730001344 ◽

1973 ◽

pp. 1344 ◽

Cited By ~ 22

Author(s):

Rodney Gale ◽

Anthony J. McCaffery

Keyword(s):

Circular Dichroism ◽

Charge Transfer ◽

Magnetic Circular Dichroism ◽

Circular Dichroism Spectra ◽

Circular Dichroïsm ◽

Magnetic Circular Dichroism Spectra

Download Full-text

ChemInform Abstract: BONDING STUDIES FROM CHARGE-TRANSFER ABSORPTION AND MAGNETIC CIRCULAR DICHROISM SPECTRA PART 2, THE COMPLEX HEXACYANOFERRATE(III) AND PENTACYANOFERRATE(III) COMPLEXES (I) OF C(4V) SYMMETRY

Chemischer Informationsdienst ◽

10.1002/chin.197337330 ◽

1973 ◽

Vol 4 (37) ◽

pp. no-no

Author(s):

RODNEY GALE ◽

ANTHONY J. MCCAFFERY

Keyword(s):

Circular Dichroism ◽

Charge Transfer ◽

Magnetic Circular Dichroism ◽

Circular Dichroism Spectra ◽

Circular Dichroïsm ◽

Magnetic Circular Dichroism Spectra

Download Full-text

Ab initio calculations of X-ray magnetic circular dichroism spectra within the projector augmented wave method: An implementation into the VASP code

Computer Physics Communications ◽

10.1016/j.cpc.2016.05.022 ◽

2016 ◽

Vol 207 ◽

pp. 136-144 ◽

Cited By ~ 4

Author(s):

Anant Dixit ◽

M. Alouani

Keyword(s):

Circular Dichroism ◽

Ab Initio Calculations ◽

Ab Initio ◽

Magnetic Circular Dichroism ◽

Wave Method ◽

Circular Dichroism Spectra ◽

X Ray ◽

Projector Augmented Wave ◽

Circular Dichroïsm ◽

Magnetic Circular Dichroism Spectra

Download Full-text