An experimental and density functional study of the Sb–C bond activation and organo-Rh bond formation from the spontaneous decay of [RhCl3(SbPh3)3]

Gabriella Tamasi; Renzo Cini; Djamaladdin G. Musaev; Keiji Morokuma

doi:10.1016/j.poly.2009.07.062

An experimental and density functional study of the Sb–C bond activation and organo-Rh bond formation from the spontaneous decay of [RhCl3(SbPh3)3]

Polyhedron ◽

10.1016/j.poly.2009.07.062 ◽

2009 ◽

Vol 28 (17) ◽

pp. 3675-3684 ◽

Cited By ~ 4

Author(s):

Gabriella Tamasi ◽

Renzo Cini ◽

Djamaladdin G. Musaev ◽

Keiji Morokuma

Keyword(s):

Density Functional ◽

Bond Activation ◽

Bond Formation ◽

Spontaneous Decay ◽

Functional Study ◽

Density Functional Study

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Density Functional Study of the Mechanism of C⋮C, O−H, and N−H Bond Activation at the PdX (X = Sn, Si, C) Bonds of the (PH3)2PdXH2Complexes

Organometallics ◽

10.1021/om001000a ◽

2001 ◽

Vol 20 (7) ◽

pp. 1462-1471 ◽

Cited By ~ 9

Author(s):

Toshiaki Matsubara

Keyword(s):

Density Functional ◽

Bond Activation ◽

Functional Study ◽

Density Functional Study

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Mechanistic Studies of the 1,4-Polymerization of Butadiene According to the π-Allyl-Insertion Mechanism. 3. Density Functional Study of the C−C Bond Formation Reaction in Cationic “Ligand-Free” (η3:η2-Heptadienyl)(η2-/η4-butadiene)nickel(II) Complexes [Ni(C7H11)(C4H6)]+

Organometallics ◽

10.1021/om990356n ◽

1999 ◽

Vol 18 (25) ◽

pp. 5204-5218 ◽

Cited By ~ 33

Author(s):

Sven Tobisch ◽

Rudolf Taube

Keyword(s):

Density Functional ◽

Bond Formation ◽

Functional Study ◽

Mechanistic Studies ◽

Formation Reaction ◽

Density Functional Study ◽

Ligand Free ◽

Insertion Mechanism

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A Comparison of C−F and C−H Bond Activation by Zerovalent Ni and Pt: A Density Functional Study

Journal of the American Chemical Society ◽

10.1021/ja0396908 ◽

2004 ◽

Vol 126 (16) ◽

pp. 5268-5276 ◽

Cited By ~ 126

Author(s):

Meike Reinhold ◽

John E. McGrady ◽

Robin N. Perutz

Keyword(s):

Density Functional ◽

Bond Activation ◽

Functional Study ◽

Density Functional Study

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Mechanistic Studies of the 1,4-Cis Polymerization of Butadiene According to the π-Allyl Insertion Mechanism. 1. Density Functional Study of the C−C Bond Formation Reaction in Cationic (η3-Allyl)(η2-/η4-butadiene)nickel(II) Complexes [Ni(C3H5)(C4H6)]+and [Ni(C3H5)(C4H6)(C2H4)]+

Organometallics ◽

10.1021/om960038d ◽

1996 ◽

Vol 15 (16) ◽

pp. 3563-3571 ◽

Cited By ~ 24

Author(s):

Sven Tobisch ◽

Horst Bögel ◽

Rudolf Taube

Keyword(s):

Density Functional ◽

Bond Formation ◽

Functional Study ◽

Mechanistic Studies ◽

Formation Reaction ◽

Density Functional Study ◽

Insertion Mechanism

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Benzene C−H Bond Activation in Carboxylic Acids Catalyzed by O-Donor Iridium(III) Complexes: An Experimental and Density Functional Study

Organometallics ◽

10.1021/om900036j ◽

2010 ◽

Vol 29 (4) ◽

pp. 742-756 ◽

Cited By ~ 44

Author(s):

Steven M. Bischof ◽

Daniel H. Ess ◽

Steven K. Meier ◽

Jonas Oxgaard ◽

Robert J. Nielsen ◽

...

Keyword(s):

Carboxylic Acids ◽

Density Functional ◽

Bond Activation ◽

Functional Study ◽

Density Functional Study

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Density Functional Study of Hydrogen Bond Formation between Methanol and Organic Molecules Containing Cl, F, NH2, OH, and COOH Functional Groups

The Journal of Physical Chemistry A ◽

10.1021/jp204313f ◽

2011 ◽

Vol 115 (48) ◽

pp. 14054-14068 ◽

Cited By ~ 13

Author(s):

Stefan K. Kolev ◽

Petko St. Petkov ◽

Miroslav A. Rangelov ◽

Georgi N. Vayssilov

Keyword(s):

Hydrogen Bond ◽

Functional Groups ◽

Density Functional ◽

Organic Molecules ◽

Bond Formation ◽

Functional Study ◽

Hydrogen Bond Formation ◽

Density Functional Study

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Density Functional Study of Carbon−Carbon Bond Activation in Curved Polyaromatic Hydrocarbons by Transition-Metal Complexes

Organometallics ◽

10.1021/om011047b ◽

2002 ◽

Vol 21 (11) ◽

pp. 2219-2225 ◽

Cited By ~ 12

Author(s):

Francesca Nunzi ◽

Antonio Sgamellotti ◽

Nazzareno Re

Keyword(s):

Transition Metal ◽

Metal Complexes ◽

Transition Metal Complexes ◽

Density Functional ◽

Bond Activation ◽

Polyaromatic Hydrocarbons ◽

Functional Study ◽

Carbon Bond ◽

Density Functional Study ◽

Carbon Carbon Bond

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A Correlation between CH Bond Activation Barrier and Singlet-Tripet Energy Gap of Transition Metal Complex-Density Functional Study on CpML Insertion into CH4

Journal of the Chinese Chemical Society ◽

10.1002/jccs.199900056 ◽

1999 ◽

Vol 46 (3) ◽

pp. 403-407 ◽

Cited By ~ 2

Author(s):

Ming-Der Su ◽

San-Yan Chu

Keyword(s):

Transition Metal ◽

Metal Complex ◽

Density Functional ◽

Bond Activation ◽

Transition Metal Complex ◽

Energy Gap ◽

Activation Barrier ◽

Functional Study ◽

Density Functional Study ◽

Complex Density

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Density Functional Study of the σ and π Bond Activation at the PdX (X = Sn, Si, C) Bonds of the (H2PC2H4PH2)PdXH2Complexes. Is the Bond Cleavage Homolytic or Heterolytic?

Journal of the American Chemical Society ◽

10.1021/ja0113495 ◽

2002 ◽

Vol 124 (4) ◽

pp. 679-689 ◽

Cited By ~ 4

Author(s):

Toshiaki Matsubara ◽

Kazuyuki Hirao

Keyword(s):

Density Functional ◽

Bond Activation ◽

Bond Cleavage ◽

Functional Study ◽

Density Functional Study

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Mechanistic Studies of the 1,4-Polymerization of Butadiene According to the π-Allyl-Insertion Mechanism. 2. Density Functional Study of the C−C Bond Formation Reaction in Cationic and Neutral (η3-Crotyl)(η2-/η4-butadiene)nickel(II) Complexes [Ni(C4H7)(C4H6)]+, [Ni(C4H7)(C4H6)L]+(L = C2H4, PH3), and [Ni(C4H7)(C4H6)X] (X-= I-)

Organometallics ◽

10.1021/om9705923 ◽

1998 ◽

Vol 17 (6) ◽

pp. 1177-1196 ◽

Cited By ~ 28

Author(s):

Sven Tobisch ◽

Horst Bögel ◽

Rudolf Taube

Keyword(s):

Density Functional ◽

Bond Formation ◽

Functional Study ◽

Mechanistic Studies ◽

Formation Reaction ◽

Density Functional Study ◽

Insertion Mechanism

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