Electrostatic and Conformational Effects on the Electronic Structures of Distortional Isomers of a Mixed-Valence Binuclear Cu Complex

Stefan Franzen; Vincent M. Miskowski; Andrew P. Shreve; Stacie E. Wallace-Williams; William H. Woodruff; Mark R. Ondrias; Mary E. Barr; Laura Moore; Steven G. Boxer

doi:10.1021/ic010494g

Electrostatic and Conformational Effects on the Electronic Structures of Distortional Isomers of a Mixed-Valence Binuclear Cu Complex

Inorganic Chemistry ◽

10.1021/ic010494g ◽

2001 ◽

Vol 40 (25) ◽

pp. 6375-6382 ◽

Cited By ~ 10

Author(s):

Stefan Franzen ◽

Vincent M. Miskowski ◽

Andrew P. Shreve ◽

Stacie E. Wallace-Williams ◽

William H. Woodruff ◽

...

Keyword(s):

Electronic Structures ◽

Mixed Valence ◽

Cu Complex ◽

Conformational Effects

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Electronic structures of two kinds of oligoborane radical anions: mixed-valence description of a reducedp-phenylenediborane and spin density distributions in distorted octahedral clusters [B6Hal6]•−, Hal = Cl, Br, I

Main Group Chemistry ◽

10.1080/10241220701562169 ◽

2007 ◽

Vol 5 (4) ◽

pp. 267-276 ◽

Cited By ~ 10

Author(s):

Stanislav Záliš ◽

Wolfgang Kaim

Keyword(s):

Spin Density ◽

Electronic Structures ◽

Mixed Valence ◽

Radical Anions ◽

Density Distributions ◽

Octahedral Clusters ◽

Distorted Octahedral

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ChemInform Abstract: MIXED-VALENCE CHEMISTRY OF ADJACENT VANADIUM CENTERS IN HETEROPOLYTUNGSTATE ANIONS. I. SYNTHESIS AND ELECTRONIC STRUCTURES OF MONO-, DI-, AND TRISUBSTITUTED DERIVATIVES OF α-OCTADECATUNGSTODIPHOSPHATE(6-) ION (α-(P2W18O62)6-)

Chemischer Informationsdienst ◽

10.1002/chin.198340035 ◽

1983 ◽

Vol 14 (40) ◽

Author(s):

S. P. HARMALKER ◽

M. A. LEPARULO ◽

M. T. POPE

Keyword(s):

Electronic Structures ◽

Mixed Valence ◽

Derivatives Of

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ChemInform Abstract: Thermal Decarbonylation of Molybdenum(II) Carbonyl-Iodide Complexes. Molecular and Electronic Structures of the Mixed-Valence Trinuclear Clusters Mo3HI7L3 (L: Tetrahydrofuran, Acetonitrile, Benzonitrile) and Molecular Structures of Mo

ChemInform ◽

10.1002/chin.198822273 ◽

1988 ◽

Vol 19 (22) ◽

Author(s):

F. A. COTTON ◽

R. POLI

Keyword(s):

Electronic Structures ◽

Mixed Valence ◽

Molecular Structures ◽

Trinuclear Clusters ◽

Thermal Decarbonylation

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ChemInform Abstract: Molecular and Electronic Structures of Mixed-Valence exo,exo-1,12-Dimethyl[1.1]ferrocenophanium Triiodide

Chemischer Informationsdienst ◽

10.1002/chin.198617057 ◽

1986 ◽

Vol 17 (17) ◽

Author(s):

M. F. MOORE ◽

S. R. WILSON ◽

M. J. COHN ◽

T.-Y. DONG ◽

U. T. MUELLER-WESTERHOFF ◽

...

Keyword(s):

Electronic Structures ◽

Mixed Valence

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Molecular and electronic structures of mixed-valence exo,exo-1,12-dimethyl[1.1]ferrocenophanium triiodide

Inorganic Chemistry ◽

10.1021/ic00220a026 ◽

1985 ◽

Vol 24 (26) ◽

pp. 4559-4565 ◽

Cited By ~ 31

Author(s):

Michael F. Moore ◽

Scott R. Wilson ◽

Michelle J. Cohn ◽

Teng Yuan Dong ◽

Ulrich T. Mueller-Westerhoff ◽

...

Keyword(s):

Electronic Structures ◽

Mixed Valence

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Distortional Isomers of a Mixed-Valence Binuclear Cu Complex

Inorganic Chemistry ◽

10.1021/ic981415c ◽

1999 ◽

Vol 38 (11) ◽

pp. 2546-2547 ◽

Cited By ~ 13

Author(s):

Vincent M. Miskowski ◽

Stefan Franzen ◽

Andrew P. Shreve ◽

Mark R. Ondrias ◽

Stacie E. Wallace-Williams ◽

...

Keyword(s):

Mixed Valence ◽

Cu Complex

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Cluster molecular orbital description of the electronic structures of mixed-valence iron oxides and silicates

Solid State Communications ◽

10.1016/0038-1098(86)90509-0 ◽

1986 ◽

Vol 58 (10) ◽

pp. 719-723 ◽

Cited By ~ 11

Author(s):

D.M. Sherman

Keyword(s):

Iron Oxides ◽

Molecular Orbital ◽

Electronic Structures ◽

Mixed Valence

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Relationship of conformational effects in phenyloxenium and phenylnitrenium cations to intramolecular reactivities. Ab initio electronic structures

The Journal of Organic Chemistry ◽

10.1021/jo00273a026 ◽

1989 ◽

Vol 54 (12) ◽

pp. 2911-2914 ◽

Cited By ~ 18

Author(s):

Yi Li ◽

Rudolph A. Abramovitch ◽

K. N. Houk

Keyword(s):

Ab Initio ◽

Electronic Structures ◽

Conformational Effects ◽

Relationship Of

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The electronic structures and magnetic properties of mixed-valence Fe-based metal–organic VNU-15 frameworks: a theoretical study from linear response DFT+U calculations

RSC Advances ◽

10.1039/d0ra05865c ◽

2020 ◽

Vol 10 (57) ◽

pp. 34690-34701

Author(s):

Diem Thi-Xuan Dang ◽

Hieu Cao Dong ◽

Yoshiyuki Kawazoe ◽

Jer-Lai Kuo ◽

Duc Nguyen-Manh

Keyword(s):

Magnetic Properties ◽

Electronic Structures ◽

Linear Response ◽

Theoretical Study ◽

Metal Organic Framework ◽

Mixed Valence ◽

Metal Organic ◽

Photocatalytic Applications ◽

Organic Framework

The effects of DMA+ cation orientation on the electronic structures and magnetic properties of the metal–organic framework VNU-15 are investigated, and VNU-15 is proved to be a prospective material for photocatalytic applications.

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Insights on electronic structures, elastic features and optical properties of mixed-valence double perovskites Cs2Au2X6 (X=F, Cl, Br, I)

Physics Letters A ◽

10.1016/j.physleta.2019.126169 ◽

2020 ◽

Vol 384 (8) ◽

pp. 126169 ◽

Cited By ~ 2

Author(s):

Xue Du ◽

Dafang He ◽

Huayue Mei ◽

Yuhan Zhong ◽

Nanpu Cheng

Keyword(s):

Optical Properties ◽

Electronic Structures ◽

Mixed Valence ◽

Double Perovskites

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