Bis(α-diimine)nickel Complexes:  Molecular and Electronic Structure of Three Members of the Electron-Transfer Series [Ni(L)2]z(z= 0, 1+, 2+) (L = 2-Phenyl-1,4-bis(isopropyl)-1,4-diazabutadiene). A Combined Experimental and Theoretical Study

Nicoleta Muresan; Krzysztof Chlopek; Thomas Weyhermüller; Frank Neese; Karl Wieghardt

doi:10.1021/ic700407m

Bis(α-diimine)nickel Complexes: Molecular and Electronic Structure of Three Members of the Electron-Transfer Series [Ni(L)2]z(z= 0, 1+, 2+) (L = 2-Phenyl-1,4-bis(isopropyl)-1,4-diazabutadiene). A Combined Experimental and Theoretical Study

Inorganic Chemistry ◽

10.1021/ic700407m ◽

2007 ◽

Vol 46 (13) ◽

pp. 5327-5337 ◽

Cited By ~ 82

Author(s):

Nicoleta Muresan ◽

Krzysztof Chlopek ◽

Thomas Weyhermüller ◽

Frank Neese ◽

Karl Wieghardt

Keyword(s):

Electron Transfer ◽

Electronic Structure ◽

Theoretical Study ◽

Nickel Complexes ◽

Molecular And Electronic Structure

Theoretical study of the molecular and electronic structure of one-dimensional crystals of potassium iodide and composites formed upon intercalation in single-walled carbon nanotubes

Physical Review B ◽

10.1103/physrevb.73.125441 ◽

2006 ◽

Vol 73 (12) ◽

Cited By ~ 31

Author(s):

Emma L. Sceats ◽

Jennifer C. Green ◽

Stephanie Reich

Keyword(s):

Carbon Nanotubes ◽

Electronic Structure ◽

Potassium Iodide ◽

Theoretical Study ◽

Single Walled Carbon Nanotubes ◽

One Dimensional ◽

Single Walled Carbon ◽

Walled Carbon Nanotubes ◽

Molecular And Electronic Structure

ChemInform Abstract: Molecular and Electronic Structure of Electron-Transfer Active Main-Group Organometallics.

ChemInform ◽

10.1002/chin.198926048 ◽

1989 ◽

Vol 20 (26) ◽

Author(s):

J. BAUMGARTEN ◽

C. BESSENBACHER ◽

W. KAIM ◽

T. STAHL

Keyword(s):

Electron Transfer ◽

Electronic Structure ◽

Main Group ◽

Molecular And Electronic Structure

Electronic structure of the members of the electron transfer series [NiL]z (z = 3+, 2+, 1+, 0) and [NiL(X)]n (X = Cl, CO, P(OCH3)3) species containing a tetradentate, redox-noninnocent, Schiff base macrocyclic ligand L: an experimental and density functional theoretical study

Dalton Transactions ◽

10.1039/b916682c ◽

2010 ◽

Vol 39 (8) ◽

pp. 1996 ◽

Cited By ~ 27

Author(s):

Meenakshi Ghosh ◽

Thomas Weyhermüller ◽

Karl Wieghardt

Keyword(s):

Electron Transfer ◽

Electronic Structure ◽

Schiff Base ◽

Density Functional ◽

Theoretical Study ◽

Macrocyclic Ligand ◽

Redox Noninnocent

ChemInform Abstract: MOLECULAR AND ELECTRONIC STRUCTURE OF PHOSPHONIUM CYCLOPROPYLIDE: A THEORETICAL STUDY

Chemischer Informationsdienst ◽

10.1002/chin.198339086 ◽

1983 ◽

Vol 14 (39) ◽

Author(s):

M. A. VINCENT ◽

H. F. III SCHAEFER ◽

A. SCHIER ◽

H. SCHMIDBAUR

Keyword(s):

Electronic Structure ◽

Theoretical Study ◽

Molecular And Electronic Structure

Theoretical study of molecular and electronic structure of 2-Se-(2-methyl-2-propenyl)-1-benzoic acid

International Journal of Quantum Chemistry ◽

10.1002/qua.21072 ◽

2006 ◽

Vol 107 (1) ◽

pp. 152-158 ◽

Cited By ~ 6

Author(s):

Ali Jameel Hameed ◽

Abraham F. Jalbout ◽

Bartosz Trzaskowski

Keyword(s):

Electronic Structure ◽

Benzoic Acid ◽

Theoretical Study ◽

Molecular And Electronic Structure

Theoretical study of the molecular and electronic structure of methanol on aTiO2(110)surface

Physical Review B ◽

10.1103/physrevb.80.235416 ◽

2009 ◽

Vol 80 (23) ◽

Cited By ~ 76

Author(s):

Jin Zhao ◽

Jinlong Yang ◽

Hrvoje Petek

Keyword(s):

Electronic Structure ◽

Theoretical Study ◽

Molecular And Electronic Structure

The Molecular and Electronic Structure of Nickelatetrazole - A Theoretical Study

Zeitschrift für anorganische und allgemeine Chemie ◽

10.1002/1521-3749(200108)627:8<1895::aid-zaac1895>3.0.co;2-4 ◽

2001 ◽

Vol 627 (8) ◽

pp. 1895-1900 ◽

Cited By ~ 4

Author(s):

Dörte Kurz ◽

Horst Hennig ◽

Joachim Reinhold

Keyword(s):

Electronic Structure ◽

Theoretical Study ◽

Molecular And Electronic Structure

A theoretical study on the molecular and electronic structure of heteroaromatic bowl-shaped molecules

Chemical Physics Letters ◽

10.1016/s0009-2614(00)01345-2 ◽

2001 ◽

Vol 333 (1-2) ◽

pp. 103-112 ◽

Cited By ~ 17

Author(s):

David Delaere ◽

Minh Tho Nguyen ◽

Luc G Vanquickenborne

Keyword(s):

Electronic Structure ◽

Theoretical Study ◽

Molecular And Electronic Structure

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

A theoretical study of the molecular and electronic structure of benzoannulated tetracyanoquinodimethanes

Journal of Materials Chemistry ◽

10.1039/jm9950501697 ◽

1995 ◽

Vol 5 (10) ◽

pp. 1697-1705 ◽

Cited By ~ 2

Author(s):

Enrique Ortí ◽

Rafael Viruela ◽

Pedro M. Viruela

Keyword(s):

Electronic Structure ◽

Theoretical Study ◽

Molecular And Electronic Structure