Ab Initioand DFT Study of Homolytic Substitution Reactions of Acyl Radicals at Silicon, Germanium, and Tin

Sonia M. Horvat; Carl H. Schiesser

doi:10.1021/om801016x

Ab Initioand DFT Study of Homolytic Substitution Reactions of Acyl Radicals at Silicon, Germanium, and Tin

Organometallics ◽

10.1021/om801016x ◽

2009 ◽

Vol 28 (12) ◽

pp. 3311-3318 ◽

Cited By ~ 16

Author(s):

Sonia M. Horvat ◽

Carl H. Schiesser

Keyword(s):

Silicon Germanium ◽

Dft Study ◽

Substitution Reactions ◽

Acyl Radicals ◽

Homolytic Substitution

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An ab initio and DFT study of some homolytic substitution reactions of methoxycarbonyl radicals at silicon, germanium, and tin

New Journal of Chemistry ◽

10.1039/c3nj01394d ◽

2014 ◽

Vol 38 (6) ◽

pp. 2595 ◽

Cited By ~ 1

Author(s):

Sonia M. Horvat ◽

Carl H. Schiesser

Keyword(s):

Ab Initio ◽

Silicon Germanium ◽

Dft Study ◽

Substitution Reactions ◽

Homolytic Substitution ◽

Ab Initio And Dft

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An ab-initio study of some homolytic substitution reactions of acyl radicals at silicon, germanium and tinElectronic supplementary information (ESI) available: optimized geometries and energies for all transition structures (Gaussian Archive entries). See http://www.rsc.org/suppdata/ob/b3/b309938e/

Organic & Biomolecular Chemistry ◽

10.1039/b309938e ◽

2003 ◽

Vol 1 (23) ◽

pp. 4335 ◽

Cited By ~ 18

Author(s):

Hiroshi Matsubara ◽

Carl H. Schiesser

Keyword(s):

Ab Initio ◽

Silicon Germanium ◽

Supplementary Information ◽

Ab Initio Study ◽

Substitution Reactions ◽

Acyl Radicals ◽

Transition Structures ◽

Homolytic Substitution ◽

Optimized Geometries

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An ab initio and DFT study of homolytic substitution reactions of acyl radicals at sulfur, selenium, and tellurium

New Journal of Chemistry ◽

10.1039/c0nj00125b ◽

2010 ◽

Vol 34 (8) ◽

pp. 1692 ◽

Cited By ~ 18

Author(s):

Sonia M. Horvat ◽

Carl H. Schiesser

Keyword(s):

Ab Initio ◽

Dft Study ◽

Substitution Reactions ◽

Acyl Radicals ◽

Homolytic Substitution ◽

Ab Initio And Dft

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An ab initio and DFT study of homolytic substitution reactions by oxyacyl radicals at sulfur, selenium, and tellurium

Tetrahedron ◽

10.1016/j.tet.2012.06.098 ◽

2012 ◽

Vol 68 (51) ◽

pp. 10482-10488 ◽

Cited By ~ 4

Author(s):

Sonia M. Horvat ◽

Carl H. Schiesser

Keyword(s):

Ab Initio ◽

Dft Study ◽

Substitution Reactions ◽

Homolytic Substitution ◽

Ab Initio And Dft

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Ab initio study of some free-radical homolytic substitution reactions at silicon, germanium and tin

Journal of the Chemical Society Perkin Transactions 2 ◽

10.1039/p29960002257 ◽

1996 ◽

pp. 2257 ◽

Cited By ~ 11

Author(s):

Carl H. Schiesser ◽

Michelle L. Styles ◽

Lisa M. Wild

Keyword(s):

Free Radical ◽

Ab Initio ◽

Silicon Germanium ◽

Ab Initio Study ◽

Substitution Reactions ◽

Homolytic Substitution

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Methyl radical also reacts by the frontside mechanism: An ab initio study of some homolytic substitution reactions of methyl radical at silicon, germanium and tin

Organic & Biomolecular Chemistry ◽

10.1039/b211310d ◽

2003 ◽

Vol 1 (7) ◽

pp. 1199-1203 ◽

Cited By ~ 18

Author(s):

Hiroshi Matsubara ◽

Sonia M. Horvat ◽

Carl H. Schiesser

Keyword(s):

Ab Initio ◽

Silicon Germanium ◽

Ab Initio Study ◽

Methyl Radical ◽

Substitution Reactions ◽

Homolytic Substitution

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Free Radical Homolytic Substitution by the Frontside Mechanism: Ab Initio Study of Homolytic Substitution Reactions at Silicon, Germanium, and Tin

Organometallics ◽

10.1021/om990886j ◽

2000 ◽

Vol 19 (7) ◽

pp. 1239-1246 ◽

Cited By ~ 24

Author(s):

Sonia M. Horvat ◽

Carl H. Schiesser ◽

Lisa M. Wild

Keyword(s):

Free Radical ◽

Ab Initio ◽

Silicon Germanium ◽

Ab Initio Study ◽

Substitution Reactions ◽

Homolytic Substitution

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Gas-phase homolytic substitution reactions of hydrogen atoms at silicon centers

Organometallics ◽

10.1021/om00137a030 ◽

1986 ◽

Vol 5 (6) ◽

pp. 1231-1235 ◽

Cited By ~ 14

Author(s):

L. Fabry ◽

P. Potzinger ◽

B. Reimann ◽

A. Ritter ◽

H. P. Steenbergen

Keyword(s):

Gas Phase ◽

Hydrogen Atoms ◽

Substitution Reactions ◽

Homolytic Substitution

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Enantioselectivity in Ruthenium‐Catalyzed Propargylic Substitution Reactions of Propargylic Alcohols with Acetone: A DFT Study

Chemistry - An Asian Journal ◽

10.1002/asia.202100984 ◽

2021 ◽

Author(s):

Ken Sakata ◽

Yui Goto ◽

Takeshi Yoshikawa ◽

Yoshiaki Nishibayashi

Keyword(s):

Dft Study ◽

Substitution Reactions ◽

Propargylic Alcohols ◽

Propargylic Substitution

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Formation of cyclopropanes by homolytic substitution reactions of 3-iodopropyl radicals: Preparative and rate studies

Tetrahedron ◽

10.1016/s0040-4020(98)01144-2 ◽

1999 ◽

Vol 55 (11) ◽

pp. 3327-3336 ◽

Cited By ~ 20

Author(s):

Dennis P. Curran ◽

Ana E. Gabarda

Keyword(s):

Substitution Reactions ◽

Homolytic Substitution

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