Carbon−Hydrogen Bond Activation in Hydridotris(pyrazolyl)borate Platinum(IV) Complexes:  Comparison of Density Functionals, Basis Sets, and Bonding Patterns

Benjamin Alan Vastine; Charles Edwin Webster; Michael B. Hall

doi:10.1021/ct700120d

Carbon−Hydrogen Bond Activation in Hydridotris(pyrazolyl)borate Platinum(IV) Complexes: Comparison of Density Functionals, Basis Sets, and Bonding Patterns

Journal of Chemical Theory and Computation ◽

10.1021/ct700120d ◽

2007 ◽

Vol 3 (6) ◽

pp. 2268-2281 ◽

Cited By ~ 10

Author(s):

Benjamin Alan Vastine ◽

Charles Edwin Webster ◽

Michael B. Hall

Keyword(s):

Hydrogen Bond ◽

Bond Activation ◽

Basis Sets ◽

Density Functionals ◽

Carbon Hydrogen Bond Activation ◽

Bonding Patterns

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Pd‐Au Supported Reduced Graphene Oxide Catalyst for Carbon‐ Hydrogen Bond Activation in Benzene

ChemistrySelect ◽

10.1002/slct.202101988 ◽

2021 ◽

Vol 6 (28) ◽

pp. 7111-7117

Author(s):

Deepika Sharma ◽

Kamal Kishor Thakur ◽

Neeraj Gupta

Keyword(s):

Hydrogen Bond ◽

Graphene Oxide ◽

Reduced Graphene Oxide ◽

Oxide Catalyst ◽

Bond Activation ◽

Reduced Graphene ◽

Carbon Hydrogen Bond Activation

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Modeling the Proposed Intermediate in Alkane Carbon−Hydrogen Bond Activation by Cp*(PMe3)Ir(Me)OTf: Synthesis and Stability of Novel Organometallic Iridium(V) Complexes

Organometallics ◽

10.1021/om990255p ◽

1999 ◽

Vol 18 (14) ◽

pp. 2707-2717 ◽

Cited By ~ 39

Author(s):

Peter J. Alaimo ◽

Robert G. Bergman

Keyword(s):

Hydrogen Bond ◽

Bond Activation ◽

Carbon Hydrogen Bond Activation

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Photochemical generation of reactive transition-metal intermediates from air-stable precursors. Carbon-hydrogen bond activation via near-ultraviolet photolysis of CpIr(L)(oxalate) and CpIr(L)(N3)2 complexes

Inorganic Chemistry ◽

10.1021/ic00004a043 ◽

1991 ◽

Vol 30 (4) ◽

pp. 836-840 ◽

Cited By ~ 16

Author(s):

Daniel A. Freedman ◽

Kent R. Mann

Keyword(s):

Hydrogen Bond ◽

Transition Metal ◽

Bond Activation ◽

Photochemical Generation ◽

Near Ultraviolet ◽

Carbon Hydrogen Bond Activation ◽

Ultraviolet Photolysis

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Carbon-hydrogen bond activation using a bis(phosphine)iridium carbonyl hydride and the carbonylation of benzene

Organometallics ◽

10.1021/om00078a013 ◽

1983 ◽

Vol 2 (6) ◽

pp. 764-767 ◽

Cited By ~ 42

Author(s):

Barbara J. Fisher ◽

Richard Eisenberg

Keyword(s):

Hydrogen Bond ◽

Bond Activation ◽

Carbon Hydrogen Bond Activation

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Aromatic and aldehyde carbon–hydrogen bond activation at cationic Rh(III) centers. Evaluation of electronic substituent effects on aldehyde binding and C–H oxidative addition

Polyhedron ◽

10.1016/j.poly.2004.09.005 ◽

2004 ◽

Vol 23 (17) ◽

pp. 2943-2954 ◽

Cited By ~ 23

Author(s):

Britton K. Corkey ◽

Felicia L. Taw ◽

Robert G. Bergman ◽

Maurice Brookhart

Keyword(s):

Hydrogen Bond ◽

Bond Activation ◽

Oxidative Addition ◽

Substituent Effects ◽

Carbon Hydrogen Bond Activation

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Cationic η2-arene complexes of rhenium in carbon-hydrogen bond activation

Journal of the American Chemical Society ◽

10.1021/ja00340a033 ◽

1983 ◽

Vol 105 (2) ◽

pp. 305-306 ◽

Cited By ~ 30

Author(s):

James R. Sweet ◽

William A. G. Graham

Keyword(s):

Hydrogen Bond ◽

Bond Activation ◽

Arene Complexes ◽

Carbon Hydrogen Bond Activation

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Orthometallation in iridium N-heterocycle stabilized carbene complexes via carbon halogen and carbon hydrogen bond activation induced by silver nanoparticles

Inorganica Chimica Acta ◽

10.1016/j.ica.2018.10.016 ◽

2019 ◽

Vol 486 ◽

pp. 1-7 ◽

Cited By ~ 2

Author(s):

Andrew C. Marr ◽

Graham C. Saunders ◽

Hayden P. Thomas ◽

Yue-Ming Wang

Keyword(s):

Hydrogen Bond ◽

Silver Nanoparticles ◽

Bond Activation ◽

Carbene Complexes ◽

Carbon Hydrogen Bond Activation

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New cationic bis(.eta.3-allyl)ruthenium(IV) complexes from allylic carbon-hydrogen bond activation of alkenes

Organometallics ◽

10.1021/om00031a050 ◽

1993 ◽

Vol 12 (7) ◽

pp. 2752-2756 ◽

Cited By ~ 7

Author(s):

Kenji Itoh ◽

Katsuyuki Masuda ◽

Hideaki Ikeda

Keyword(s):

Hydrogen Bond ◽

Bond Activation ◽

Carbon Hydrogen Bond Activation

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ChemInform Abstract: THE MECHANISM AND THERMODYNAMICS OF ALKANE AND ARENE CARBON-HYDROGEN BOND ACTIVATION IN (C5ME5)RH(PME3)(R)H

Chemischer Informationsdienst ◽

10.1002/chin.198426311 ◽

1984 ◽

Vol 15 (26) ◽

Author(s):

W. D. JONES ◽

F. J. FEHER

Keyword(s):

Hydrogen Bond ◽

Bond Activation ◽

Carbon Hydrogen Bond Activation

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Photochemical carbon-hydrogen bond activation of coordinated propene in (.eta.5-C5Me5)Re(CO)2(.eta.2-C3H6). X-ray structure determination of exo and endo isomers of the resulting .eta.3-allyl(hydrido) complex (.eta.5-C5Me5)Re(H)(CO)(.eta.3-C3H5)

Journal of the American Chemical Society ◽

10.1021/ja00191a074 ◽

1989 ◽

Vol 111 (9) ◽

pp. 3468-3469 ◽

Cited By ~ 17

Author(s):

Raymond J. Batchelor ◽

Frederick W. B. Einstein ◽

Richard H. Jones ◽

Jun Ming Zhuang ◽

Derek Sutton

Keyword(s):

Hydrogen Bond ◽

Structure Determination ◽

Bond Activation ◽

X Ray ◽

Carbon Hydrogen Bond Activation

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Carbon−Hydrogen Bond Activation in Hydridotris(pyrazolyl)borate Platinum(IV) Complexes: Comparison of Density Functionals, Basis Sets, and Bonding Patterns

Pd‐Au Supported Reduced Graphene Oxide Catalyst for Carbon‐ Hydrogen Bond Activation in Benzene

Modeling the Proposed Intermediate in Alkane Carbon−Hydrogen Bond Activation by Cp*(PMe3)Ir(Me)OTf: Synthesis and Stability of Novel Organometallic Iridium(V) Complexes

Photochemical generation of reactive transition-metal intermediates from air-stable precursors. Carbon-hydrogen bond activation via near-ultraviolet photolysis of Cp*Ir(L)(oxalate) and Cp*Ir(L)(N3)2 complexes

Carbon-hydrogen bond activation using a bis(phosphine)iridium carbonyl hydride and the carbonylation of benzene

Aromatic and aldehyde carbon–hydrogen bond activation at cationic Rh(III) centers. Evaluation of electronic substituent effects on aldehyde binding and C–H oxidative addition

Cationic η2-arene complexes of rhenium in carbon-hydrogen bond activation

Orthometallation in iridium N-heterocycle stabilized carbene complexes via carbon halogen and carbon hydrogen bond activation induced by silver nanoparticles

New cationic bis(.eta.3-allyl)ruthenium(IV) complexes from allylic carbon-hydrogen bond activation of alkenes

ChemInform Abstract: THE MECHANISM AND THERMODYNAMICS OF ALKANE AND ARENE CARBON-HYDROGEN BOND ACTIVATION IN (C5ME5)RH(PME3)(R)H

Photochemical carbon-hydrogen bond activation of coordinated propene in (.eta.5-C5Me5)Re(CO)2(.eta.2-C3H6). X-ray structure determination of exo and endo isomers of the resulting .eta.3-allyl(hydrido) complex (.eta.5-C5Me5)Re(H)(CO)(.eta.3-C3H5)

Photochemical generation of reactive transition-metal intermediates from air-stable precursors. Carbon-hydrogen bond activation via near-ultraviolet photolysis of CpIr(L)(oxalate) and CpIr(L)(N3)2 complexes