Electronic and Molecular Structures of the Members of the Electron Transfer Series [Cr(tbpy)3]n(n= 3+, 2+, 1+, 0): An X-ray Absorption Spectroscopic and Density Functional Theoretical Study

Christopher C. Scarborough; Stephen Sproules; Thomas Weyhermüller; Serena DeBeer; Karl Wieghardt

doi:10.1021/ic201123x

Electronic and Molecular Structures of the Members of the Electron Transfer Series [Cr(tbpy)3]n(n= 3+, 2+, 1+, 0): An X-ray Absorption Spectroscopic and Density Functional Theoretical Study

Inorganic Chemistry ◽

10.1021/ic201123x ◽

2011 ◽

Vol 50 (24) ◽

pp. 12446-12462 ◽

Cited By ~ 110

Author(s):

Christopher C. Scarborough ◽

Stephen Sproules ◽

Thomas Weyhermüller ◽

Serena DeBeer ◽

Karl Wieghardt

Keyword(s):

Electron Transfer ◽

Density Functional ◽

Theoretical Study ◽

Molecular Structures ◽

X Ray ◽

X Ray Absorption

Electronic Structure of the [Tris(dithiolene)chromium]z(z= 0, 1−, 2−, 3−) Electron Transfer Series and Their Manganese(IV) Analogues. An X-ray Absorption Spectroscopic and Density Functional Theoretical Study

Inorganic Chemistry ◽

10.1021/ic900154v ◽

2009 ◽

Vol 48 (13) ◽

pp. 5829-5847 ◽

Cited By ~ 68

Author(s):

Priyabrata Banerjee ◽

Stephen Sproules ◽

Thomas Weyhermüller ◽

Serena DeBeer George ◽

Karl Wieghardt

Keyword(s):

Electron Transfer ◽

Electronic Structure ◽

Density Functional ◽

Theoretical Study ◽

X Ray ◽

X Ray Absorption

Six-Membered Electron Transfer Series [V(dithiolene)3]z(z= 1+, 0, 1−, 2−, 3−, 4−). An X-ray Absorption Spectroscopic and Density Functional Theoretical Study

Inorganic Chemistry ◽

10.1021/ic100344f ◽

2010 ◽

Vol 49 (11) ◽

pp. 5241-5261 ◽

Cited By ~ 43

Author(s):

Stephen Sproules ◽

Thomas Weyhermüller ◽

Serena DeBeer ◽

Karl Wieghardt

Keyword(s):

Electron Transfer ◽

Density Functional ◽

Theoretical Study ◽

X Ray ◽

X Ray Absorption

Combined Mössbauer spectroscopic, multi-edge X-ray absorption spectroscopic, and density functional theoretical study of the radical SAM enzyme spore photoproduct lyase

JBIC Journal of Biological Inorganic Chemistry ◽

10.1007/s00775-014-1104-y ◽

2014 ◽

Vol 19 (3) ◽

pp. 465-483 ◽

Cited By ~ 7

Author(s):

Sunshine C. Silver ◽

David J. Gardenghi ◽

Sunil G. Naik ◽

Eric M. Shepard ◽

Boi Hanh Huynh ◽

...

Keyword(s):

Density Functional ◽

Theoretical Study ◽

Radical Sam ◽

X Ray ◽

Spore Photoproduct Lyase ◽

Radical Sam Enzyme ◽

Spore Photoproduct ◽

X Ray Absorption

Local Structure Analysis of Lead Zinc Niobate-Barium Titanate Ceramic by X-Ray Absorption Spectroscopy and Density Functional Calculation

Chinese Physics Letters ◽

10.1088/0256-307x/34/8/086102 ◽

2017 ◽

Vol 34 (8) ◽

pp. 086102

Author(s):

Kanokwan Kanchiang ◽

Phakkhananan Pakawanit ◽

Rattikorn Yimnirun

Keyword(s):

Barium Titanate ◽

Local Structure ◽

Density Functional ◽

Density Functional Calculation ◽

X Ray ◽

Barium Titanate Ceramic ◽

Lead Zinc Niobate ◽

Lead Zinc ◽

X Ray Absorption ◽

Titanate Ceramic

Combined Bethe-Saltpeter equations and time-dependent density-functional theory approach for x-ray absorption calculations

Physical Review B ◽

10.1103/physrevb.71.165110 ◽

2005 ◽

Vol 71 (16) ◽

Cited By ~ 34

Author(s):

A. L. Ankudinov ◽

Y. Takimoto ◽

J. J. Rehr

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Time Dependent ◽

Theory Approach ◽

Functional Theory ◽

X Ray ◽

X Ray Absorption ◽

Dependent Density

Time dependent density functional theory study of the near-edge x-ray absorption fine structure of benzene in gas phase and on metal surfaces

The Journal of Chemical Physics ◽

10.1063/1.2967190 ◽

2008 ◽

Vol 129 (6) ◽

pp. 064705 ◽

Cited By ~ 22

Author(s):

Frans A. Asmuruf ◽

Nicholas A. Besley

Keyword(s):

Density Functional Theory ◽

Fine Structure ◽

Gas Phase ◽

Density Functional ◽

Time Dependent ◽

Density Functional Theory Study ◽

Functional Theory ◽

X Ray ◽

X Ray Absorption ◽

Dependent Density

Self-interaction-corrected time-dependent density-functional-theory calculations of x-ray-absorption spectra

Physical Review A ◽

10.1103/physreva.76.022506 ◽

2007 ◽

Vol 76 (2) ◽

Cited By ~ 41

Author(s):

Guangde Tu ◽

Zilvinas Rinkevicius ◽

Olav Vahtras ◽

Hans Ågren ◽

Ulf Ekström ◽

...

Keyword(s):

Density Functional Theory ◽

Absorption Spectra ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Time Dependent ◽

Functional Theory ◽

X Ray ◽

X Ray Absorption ◽

Dependent Density

Predictions of Pre-edge Features in Time-Resolved Near-Edge X-ray Absorption Fine Structure Spectroscopy from Hole–Hole Tamm–Dancoff-Approximated Density Functional Theory

Journal of Chemical Theory and Computation ◽

10.1021/acs.jctc.1c00478 ◽

2021 ◽

Author(s):

Edward G. Hohenstein ◽

Jimmy K. Yu ◽

Christoph Bannwarth ◽

Nanna Holmgaard List ◽

Alexander C. Paul ◽

...

Keyword(s):

Density Functional Theory ◽

Fine Structure ◽

Density Functional ◽

Functional Theory ◽

Time Resolved ◽

X Ray ◽

Absorption Fine ◽

Edge Features ◽

X Ray Absorption

Time-Resolved X-ray Absorption Determination of Structural Changes following Photoinduced Electron Transfer within Bis-porphyrin Heme Protein Models

The Journal of Physical Chemistry B ◽

10.1021/jp990056j ◽

1999 ◽

Vol 103 (16) ◽

pp. 3270-3274 ◽

Cited By ~ 20

Author(s):

Lin X. Chen ◽

Peter L. Lee ◽

David Gosztola ◽

Walter A. Svec ◽

Pedro A. Montano ◽

...

Keyword(s):

Electron Transfer ◽

Photoinduced Electron Transfer ◽

Structural Changes ◽

Heme Protein ◽

Time Resolved ◽

X Ray ◽

Absorption Determination ◽

Protein Models ◽

X Ray Absorption

Electron transfer reactions on Cs/MoS2(0002) with chlorine, oxygen, and water: High resolution x-ray photoelectron spectroscopy and theoretical study

The Journal of Chemical Physics ◽

10.1063/1.479423 ◽

1999 ◽

Vol 111 (4) ◽

pp. 1636-1649 ◽

Cited By ~ 5

Author(s):

Ken T. Park ◽

James S. Hess ◽

Kamil Klier

Keyword(s):

Electron Transfer ◽

High Resolution ◽

Photoelectron Spectroscopy ◽

Theoretical Study ◽

Transfer Reactions ◽

Electron Transfer Reactions ◽

X Ray