The Experts below are selected from a list of 9558 Experts worldwide ranked by ideXlab platform
Martin Headgordon - One of the best experts on this subject based on the ideXlab platform.
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bimolecular reaction dynamics in the phenyl silane system exploring the prototype of a Radical Substitution mechanism
Journal of Physical Chemistry Letters, 2018Co-Authors: Michael Lucas, Aaron M Thomas, Tao Yang, Ralf I Kaiser, Alexander M Mebel, Diptarka Hait, Martin HeadgordonAbstract:We present a combined experimental and theoretical investigation of the bimolecular gas-phase reaction of the phenyl Radical (C6H5) with silane (SiH4) under single collision conditions to investigate the chemical dynamics of forming phenylsilane (C6H5SiH3) via a bimolecular Radical Substitution mechanism at a tetracoordinated silicon atom. Verified by electronic structure and quasiclassical trajectory calculations, the replacement of a single carbon atom in methane by silicon lowers the barrier to Substitution, thus defying conventional wisdom that tetracoordinated hydrides undergo preferentially hydrogen abstraction. This reaction mechanism provides fundamental insights into the hitherto unexplored gas-phase chemical dynamics of Radical Substitution reactions of mononuclear main group hydrides under single collision conditions and highlights the distinct reactivity of silicon compared to its isovalent carbon. This mechanism might be also involved in the synthesis of cyanosilane (SiH3CN) and methylsilane ...
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bimolecular reaction dynamics in the phenyl silane system exploring the prototype of a Radical Substitution mechanism
Journal of Physical Chemistry Letters, 2018Co-Authors: Michael Lucas, Aaron M Thomas, Tao Yang, Ralf I Kaiser, Alexander M Mebel, Diptarka Hait, Martin HeadgordonAbstract:We present a combined experimental and theoretical investigation of the bimolecular gas-phase reaction of the phenyl Radical (C6H5) with silane (SiH4) under single collision conditions to investigate the chemical dynamics of forming phenylsilane (C6H5SiH3) via a bimolecular Radical Substitution mechanism at a tetracoordinated silicon atom. Verified by electronic structure and quasiclassical trajectory calculations, the replacement of a single carbon atom in methane by silicon lowers the barrier to Substitution, thus defying conventional wisdom that tetracoordinated hydrides undergo preferentially hydrogen abstraction. This reaction mechanism provides fundamental insights into the hitherto unexplored gas-phase chemical dynamics of Radical Substitution reactions of mononuclear main group hydrides under single collision conditions and highlights the distinct reactivity of silicon compared to its isovalent carbon. This mechanism might be also involved in the synthesis of cyanosilane (SiH3CN) and methylsilane (CH3SiH3) probed in the circumstellar envelope of the carbon star IRC+10216.
Chaojun Li - One of the best experts on this subject based on the ideXlab platform.
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organic reactions in aqueous media with a focus on carbon carbon bond formations a decade update
Chemical Reviews, 2005Co-Authors: Chaojun LiAbstract:4.2.8. Reductive Coupling 3109 5. Reaction of Aromatic Compounds 3110 5.1. Electrophilic Substitutions 3110 5.2. Radical Substitution 3111 5.3. Oxidative Coupling 3111 5.4. Photochemical Reactions 3111 6. Reaction of Carbonyl Compounds 3111 6.1. Nucleophilic Additions 3111 6.1.1. Allylation 3111 6.1.2. Propargylation 3120 6.1.3. Benzylation 3121 6.1.4. Arylation/Vinylation 3121 6.1.5. Alkynylation 3121 6.1.6. Alkylation 3121 6.1.7. Reformatsky-Type Reaction 3122 6.1.8. Direct Aldol Reaction 3122 6.1.9. Mukaiyama Aldol Reaction 3124 6.1.10. Hydrogen Cyanide Addition 3125 6.2. Pinacol Coupling 3126 6.3. Wittig Reactions 3126 7. Reaction of R,â-Unsaturated Carbonyl Compounds 3127
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organic reactions in aqueous media with a focus on carbon carbon bond formations a decade update
Chemical Reviews, 2005Co-Authors: Chaojun LiAbstract:4.2.8. Reductive Coupling 3109 5. Reaction of Aromatic Compounds 3110 5.1. Electrophilic Substitutions 3110 5.2. Radical Substitution 3111 5.3. Oxidative Coupling 3111 5.4. Photochemical Reactions 3111 6. Reaction of Carbonyl Compounds 3111 6.1. Nucleophilic Additions 3111 6.1.1. Allylation 3111 6.1.2. Propargylation 3120 6.1.3. Benzylation 3121 6.1.4. Arylation/Vinylation 3121 6.1.5. Alkynylation 3121 6.1.6. Alkylation 3121 6.1.7. Reformatsky-Type Reaction 3122 6.1.8. Direct Aldol Reaction 3122 6.1.9. Mukaiyama Aldol Reaction 3124 6.1.10. Hydrogen Cyanide Addition 3125 6.2. Pinacol Coupling 3126 6.3. Wittig Reactions 3126 7. Reaction of R,â-Unsaturated Carbonyl Compounds 3127
Michael Lucas - One of the best experts on this subject based on the ideXlab platform.
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bimolecular reaction dynamics in the phenyl silane system exploring the prototype of a Radical Substitution mechanism
Journal of Physical Chemistry Letters, 2018Co-Authors: Michael Lucas, Aaron M Thomas, Tao Yang, Ralf I Kaiser, Alexander M Mebel, Diptarka Hait, Martin HeadgordonAbstract:We present a combined experimental and theoretical investigation of the bimolecular gas-phase reaction of the phenyl Radical (C6H5) with silane (SiH4) under single collision conditions to investigate the chemical dynamics of forming phenylsilane (C6H5SiH3) via a bimolecular Radical Substitution mechanism at a tetracoordinated silicon atom. Verified by electronic structure and quasiclassical trajectory calculations, the replacement of a single carbon atom in methane by silicon lowers the barrier to Substitution, thus defying conventional wisdom that tetracoordinated hydrides undergo preferentially hydrogen abstraction. This reaction mechanism provides fundamental insights into the hitherto unexplored gas-phase chemical dynamics of Radical Substitution reactions of mononuclear main group hydrides under single collision conditions and highlights the distinct reactivity of silicon compared to its isovalent carbon. This mechanism might be also involved in the synthesis of cyanosilane (SiH3CN) and methylsilane ...
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bimolecular reaction dynamics in the phenyl silane system exploring the prototype of a Radical Substitution mechanism
Journal of Physical Chemistry Letters, 2018Co-Authors: Michael Lucas, Aaron M Thomas, Tao Yang, Ralf I Kaiser, Alexander M Mebel, Diptarka Hait, Martin HeadgordonAbstract:We present a combined experimental and theoretical investigation of the bimolecular gas-phase reaction of the phenyl Radical (C6H5) with silane (SiH4) under single collision conditions to investigate the chemical dynamics of forming phenylsilane (C6H5SiH3) via a bimolecular Radical Substitution mechanism at a tetracoordinated silicon atom. Verified by electronic structure and quasiclassical trajectory calculations, the replacement of a single carbon atom in methane by silicon lowers the barrier to Substitution, thus defying conventional wisdom that tetracoordinated hydrides undergo preferentially hydrogen abstraction. This reaction mechanism provides fundamental insights into the hitherto unexplored gas-phase chemical dynamics of Radical Substitution reactions of mononuclear main group hydrides under single collision conditions and highlights the distinct reactivity of silicon compared to its isovalent carbon. This mechanism might be also involved in the synthesis of cyanosilane (SiH3CN) and methylsilane (CH3SiH3) probed in the circumstellar envelope of the carbon star IRC+10216.
Ralf I Kaiser - One of the best experts on this subject based on the ideXlab platform.
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bimolecular reaction dynamics in the phenyl silane system exploring the prototype of a Radical Substitution mechanism
Journal of Physical Chemistry Letters, 2018Co-Authors: Michael Lucas, Aaron M Thomas, Tao Yang, Ralf I Kaiser, Alexander M Mebel, Diptarka Hait, Martin HeadgordonAbstract:We present a combined experimental and theoretical investigation of the bimolecular gas-phase reaction of the phenyl Radical (C6H5) with silane (SiH4) under single collision conditions to investigate the chemical dynamics of forming phenylsilane (C6H5SiH3) via a bimolecular Radical Substitution mechanism at a tetracoordinated silicon atom. Verified by electronic structure and quasiclassical trajectory calculations, the replacement of a single carbon atom in methane by silicon lowers the barrier to Substitution, thus defying conventional wisdom that tetracoordinated hydrides undergo preferentially hydrogen abstraction. This reaction mechanism provides fundamental insights into the hitherto unexplored gas-phase chemical dynamics of Radical Substitution reactions of mononuclear main group hydrides under single collision conditions and highlights the distinct reactivity of silicon compared to its isovalent carbon. This mechanism might be also involved in the synthesis of cyanosilane (SiH3CN) and methylsilane ...
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bimolecular reaction dynamics in the phenyl silane system exploring the prototype of a Radical Substitution mechanism
Journal of Physical Chemistry Letters, 2018Co-Authors: Michael Lucas, Aaron M Thomas, Tao Yang, Ralf I Kaiser, Alexander M Mebel, Diptarka Hait, Martin HeadgordonAbstract:We present a combined experimental and theoretical investigation of the bimolecular gas-phase reaction of the phenyl Radical (C6H5) with silane (SiH4) under single collision conditions to investigate the chemical dynamics of forming phenylsilane (C6H5SiH3) via a bimolecular Radical Substitution mechanism at a tetracoordinated silicon atom. Verified by electronic structure and quasiclassical trajectory calculations, the replacement of a single carbon atom in methane by silicon lowers the barrier to Substitution, thus defying conventional wisdom that tetracoordinated hydrides undergo preferentially hydrogen abstraction. This reaction mechanism provides fundamental insights into the hitherto unexplored gas-phase chemical dynamics of Radical Substitution reactions of mononuclear main group hydrides under single collision conditions and highlights the distinct reactivity of silicon compared to its isovalent carbon. This mechanism might be also involved in the synthesis of cyanosilane (SiH3CN) and methylsilane (CH3SiH3) probed in the circumstellar envelope of the carbon star IRC+10216.
Diptarka Hait - One of the best experts on this subject based on the ideXlab platform.
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bimolecular reaction dynamics in the phenyl silane system exploring the prototype of a Radical Substitution mechanism
Journal of Physical Chemistry Letters, 2018Co-Authors: Michael Lucas, Aaron M Thomas, Tao Yang, Ralf I Kaiser, Alexander M Mebel, Diptarka Hait, Martin HeadgordonAbstract:We present a combined experimental and theoretical investigation of the bimolecular gas-phase reaction of the phenyl Radical (C6H5) with silane (SiH4) under single collision conditions to investigate the chemical dynamics of forming phenylsilane (C6H5SiH3) via a bimolecular Radical Substitution mechanism at a tetracoordinated silicon atom. Verified by electronic structure and quasiclassical trajectory calculations, the replacement of a single carbon atom in methane by silicon lowers the barrier to Substitution, thus defying conventional wisdom that tetracoordinated hydrides undergo preferentially hydrogen abstraction. This reaction mechanism provides fundamental insights into the hitherto unexplored gas-phase chemical dynamics of Radical Substitution reactions of mononuclear main group hydrides under single collision conditions and highlights the distinct reactivity of silicon compared to its isovalent carbon. This mechanism might be also involved in the synthesis of cyanosilane (SiH3CN) and methylsilane ...
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bimolecular reaction dynamics in the phenyl silane system exploring the prototype of a Radical Substitution mechanism
Journal of Physical Chemistry Letters, 2018Co-Authors: Michael Lucas, Aaron M Thomas, Tao Yang, Ralf I Kaiser, Alexander M Mebel, Diptarka Hait, Martin HeadgordonAbstract:We present a combined experimental and theoretical investigation of the bimolecular gas-phase reaction of the phenyl Radical (C6H5) with silane (SiH4) under single collision conditions to investigate the chemical dynamics of forming phenylsilane (C6H5SiH3) via a bimolecular Radical Substitution mechanism at a tetracoordinated silicon atom. Verified by electronic structure and quasiclassical trajectory calculations, the replacement of a single carbon atom in methane by silicon lowers the barrier to Substitution, thus defying conventional wisdom that tetracoordinated hydrides undergo preferentially hydrogen abstraction. This reaction mechanism provides fundamental insights into the hitherto unexplored gas-phase chemical dynamics of Radical Substitution reactions of mononuclear main group hydrides under single collision conditions and highlights the distinct reactivity of silicon compared to its isovalent carbon. This mechanism might be also involved in the synthesis of cyanosilane (SiH3CN) and methylsilane (CH3SiH3) probed in the circumstellar envelope of the carbon star IRC+10216.
