Competitive Alkylidene Transfer to Olefins and Alkylidene-to-Olefin Interconversion of the Electrophilic Iron Carbene Complexes [FeCp(CO)(L)(CHR)]+(L = CO, PH3; R = Me, Et):  A Theoretical Study†

Georg Dazinger; Karl Kirchner

doi:10.1021/om049374h

Competitive Alkylidene Transfer to Olefins and Alkylidene-to-Olefin Interconversion of the Electrophilic Iron Carbene Complexes [FeCp(CO)(L)(CHR)]+(L = CO, PH3; R = Me, Et): A Theoretical Study†

Organometallics ◽

10.1021/om049374h ◽

2004 ◽

Vol 23 (26) ◽

pp. 6281-6287 ◽

Cited By ~ 13

Author(s):

Georg Dazinger ◽

Karl Kirchner

Keyword(s):

Theoretical Study ◽

Carbene Complexes

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Theoretical Study of Rhodium(I) Carbene Complexes: The Structural Versatility of Phosphino- Compared with Aminocarbenes

Chemistry - A European Journal ◽

10.1002/chem.200304928 ◽

2003 ◽

Vol 9 (23) ◽

pp. 5858-5864 ◽

Cited By ~ 7

Author(s):

Karinne Miqueu ◽

Emmanuelle Despagnet-Ayoub ◽

Philip W. Dyer ◽

Didier Bourissou ◽

Guy Bertrand

Keyword(s):

Theoretical Study ◽

Carbene Complexes ◽

Structural Versatility

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Theoretical study of the mechanism of two successive N-methylene C–H bond activations on a phosphine-tethered N-heterocyclic carbene on a triruthenium carbonyl cluster

RSC Advances ◽

10.1039/c6ra19787f ◽

2016 ◽

Vol 6 (102) ◽

pp. 99625-99630 ◽

Cited By ~ 6

Author(s):

Jing Yan ◽

Zhe Han ◽

Dongju Zhang ◽

Chengbu Liu

Keyword(s):

Dft Calculations ◽

Theoretical Study ◽

Carbonyl Cluster ◽

Carbene Complexes ◽

Bond Activations

DFT calculations clarify the mechanism details of successive N-methylene C–H bond activations on N-heterocyclic triruthenium carbene complexes.

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Selective CC Bond Formation between Alkynes Mediated by the [RuCp(PR3)]+ Fragment Leading to Allyl, Butadienyl, and Allenyl Carbene Complexes—An Experimental and Theoretical Study

Chemistry - A European Journal ◽

10.1002/1521-3765(20020902)8:17<3948::aid-chem3948>3.0.co;2-1 ◽

2002 ◽

Vol 8 (17) ◽

pp. 3948-3961 ◽

Cited By ~ 40

Author(s):

Eva Rüba ◽

Kurt Mereiter ◽

Roland Schmid ◽

Valentin N. Sapunov ◽

Karl Kirchner ◽

...

Keyword(s):

Theoretical Study ◽

Bond Formation ◽

Carbene Complexes

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Synthesis and Bonding in Carbene Complexes of an Unsymmetrical Dilithio Methandiide: A Combined Experimental and Theoretical Study

Chemistry - A European Journal ◽

10.1002/chem.201303115 ◽

2013 ◽

Vol 19 (49) ◽

pp. 16729-16739 ◽

Cited By ~ 59

Author(s):

Viktoria H. Gessner ◽

Florian Meier ◽

Diana Uhrich ◽

Martin Kaupp

Keyword(s):

Theoretical Study ◽

Carbene Complexes

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Theoretical study of the conformation of cis-bis(carbene) complexes

Organometallics ◽

10.1021/om00094a007 ◽

1988 ◽

Vol 7 (4) ◽

pp. 829-835 ◽

Cited By ~ 3

Author(s):

D. Cauchy ◽

Y. Jean ◽

O. Eisenstein ◽

F. Volatron

Keyword(s):

Theoretical Study ◽

Carbene Complexes

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Heterobimetallic N-Heterocyclic Carbene Complexes: A Synthetic, Spectroscopic, and Theoretical Study

Inorganic Chemistry ◽

10.1021/acs.inorgchem.6b00222 ◽

2016 ◽

Vol 55 (14) ◽

pp. 6882-6891 ◽

Cited By ~ 27

Author(s):

Thomas P. Pell ◽

David J. D. Wilson ◽

Brian W. Skelton ◽

Jason L. Dutton ◽

Peter J. Barnard

Keyword(s):

Theoretical Study ◽

Carbene Complexes

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Syntheses and Crystal Structures of [Hg{C(PPh3)2}2][Hg2I6] and [Cu{C(PPh3)2}2]I and Comparative Theoretical Study of Carbene Complexes [M(NHC)2] with Carbone Complexes [M{C(PH3)2}2] (M = Cu+, Ag+, Au+, Zn2+, Cd2+, Hg2+)

Organometallics ◽

10.1021/om200145c ◽

2011 ◽

Vol 30 (12) ◽

pp. 3330-3339 ◽

Cited By ~ 31

Author(s):

Wolfgang Petz ◽

Bernhard Neumüller ◽

Susanne Klein ◽

Gernot Frenking

Keyword(s):

Crystal Structures ◽

Theoretical Study ◽

Carbene Complexes

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Addition of aldehydes to tantalum-carbene complexes and the reduction of epoxides by unsaturated tantalum complexes. Theoretical study of the reaction mechanism and product structures

Organometallics ◽

10.1021/om00060a044 ◽

1992 ◽

Vol 11 (12) ◽

pp. 4213-4221 ◽

Cited By ~ 3

Author(s):

Birgit Schioett ◽

Karl Anker Joergensen ◽

Maria Jose Calhorda ◽

Adelino M. Galvao

Keyword(s):

Reaction Mechanism ◽

Theoretical Study ◽

Carbene Complexes ◽

Product Structures

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The effect of substituted moiety on the optoelectronic and photophysical properties of tris (phenylbenzimidazolinato) Ir (III) carbene complexes and the OLED performance: a theoretical study

Molecular Physics ◽

10.1080/00268976.2014.1002824 ◽

2015 ◽

Vol 113 (12) ◽

pp. 1451-1464 ◽

Cited By ~ 5

Author(s):

Ruby Srivastava

Keyword(s):

Theoretical Study ◽

Photophysical Properties ◽

Carbene Complexes ◽

Oled Performance

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Conformation of half-sandwich Mn(I) O-alkyl and O-aryl Fischer carbene complexes: a joined experimental-theoretical study

Acta Crystallographica Section A Foundations of Crystallography ◽

10.1107/s0108767311088611 ◽

2011 ◽

Vol 67 (a1) ◽

pp. C452-C452

Author(s):

N. Lugan ◽

I. Fernández ◽

D. A. Valyaev ◽

R. Brousses ◽

M. A. Sierra ◽

...

Keyword(s):

Theoretical Study ◽

Fischer Carbene Complexes ◽

Carbene Complexes ◽

Fischer Carbene ◽

Half Sandwich

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