Structural and Electronic Properties of Carbon Nanotubes and Graphenes Functionalized with Cyclopentadienyl–Transition Metal Complexes: A DFT Study

2013 ◽  
Vol 117 (17) ◽  
pp. 8758-8766 ◽  
Author(s):  
Zhongtao Zhang ◽  
C. Heath Turner
Keyword(s):  
Carbon Nanotubes ◽  
Transition Metal ◽  
Metal Complexes ◽  
Electronic Properties ◽  
Transition Metal Complexes ◽  
Dft Study ◽  
Structural And Electronic Properties

Synthesis and Electronic Properties of Transition Metal Complexes Containing Sulfonamidoquinoline Ligands

Polyhedron ◽  
2021 ◽  
pp. 115269
Author(s):  
Matthew T. Gole ◽  
Patrick Pauls ◽  
Sage F. Hartlaub ◽  
Chip Nataro ◽  
Lauren M. Rossiter ◽  
...  
Keyword(s):  
Transition Metal ◽  
Metal Complexes ◽  
Electronic Properties ◽  
Transition Metal Complexes

Endo- and exohedral chloro-fulleride as η5 ligands: A DFT study on the first-row transition metal complexes

2021 ◽  
Author(s):  
Sebastian Anila ◽  
Cherumuttathu Hariharan Suresh
Keyword(s):  
Transition Metal ◽  
Transition Metals ◽  
Metal Complexes ◽  
Transition Metal Complexes ◽  
Dft Study ◽  
C60 Fullerene ◽  
Ring Fusion ◽  
Coordination Modes

C60 fullerene coordinates to transition metals in η2-fashion through its C-C bond at [6,6] ring fusion whereas other coordination modes η3, η4, η5 and η6 are rarely observed. The coordination...

scholarly journals Experimental and Theoretical Insights into the Electronic Properties of Anionic N-Heterocyclic Dicarbenes through the Rational Synthesis of Their Transition Metal Complexes

2021 ◽  
Vol 60 (6) ◽  
pp. 4015-4025
Author(s):  
Alina A. Grineva ◽  
Oleg A. Filippov ◽  
Yves Canac ◽  
Jean-Baptiste Sortais ◽  
Sergei E. Nefedov ◽  
...  
Keyword(s):  
Transition Metal ◽  
Metal Complexes ◽  
Electronic Properties ◽  
Transition Metal Complexes

Theoretical investigation of the coordination of dibenzazepine to transition-metal complexes: A DFT study

Polyhedron ◽  
2010 ◽  
Vol 29 (13) ◽  
pp. 2722-2730 ◽  
Author(s):  
Sara Farah ◽  
Saïda Ababsa ◽  
Nora Benhamada ◽  
Bachir Zouchoune
Keyword(s):  
Transition Metal ◽  
Metal Complexes ◽  
Transition Metal Complexes ◽  
Theoretical Investigation ◽  
Dft Study

Transition Metal Complexes of Diazenes, XVII [1]. Reactions of 1,2-Diazetines and 1,2-Diazetine-N-oxides with Iron Carbonyls

1982 ◽  
Vol 37 (4) ◽  
pp. 463-467 ◽  
Author(s):  
A. Albini ◽  
H. Kisch ◽  
C. Krüger ◽  
An-Pei Chiang
Keyword(s):  
Molecular Structure ◽  
Transition Metal ◽  
Metal Complexes ◽  
Electronic Properties ◽  
Transition Metal Complexes ◽  
Lone Pair ◽  
X Ray ◽  
Iron Carbonyls

Enneacarbonyldiiron reacts with 3,3,4,4-tetramethyl-1,2-diazetine (L) or its mono-N-oxide (L′) to form complexes (L)Fe(CO)4 (3), (L)Fe2(CO)7 (4), (L)Fe2(CO)6 (5), or (L′)Fe(CO)4 (6), and small amounts of deoxygenated 4 and 5, respectively. Formation and stability of the complexes is compared with those of ligands with smaller and larger ring sizes and discussed in terms of the electronic properties of the ligand lone-pair Orbitals. The molecular structure of 4 is established by X-ray analysis.

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