Intermediates of Halogen Addition to Phenylethynes and Protonation of Phenylethynyl Halides. Open Halovinyl Cations, Bridged Halonium, or Phenyl-Bridged Ions:  A Substituent Effect Study by DFT and GIAO-DFT

Takao Okazaki; Kenneth K. Laali

doi:10.1021/jo061632s

Intermediates of Halogen Addition to Phenylethynes and Protonation of Phenylethynyl Halides. Open Halovinyl Cations, Bridged Halonium, or Phenyl-Bridged Ions: A Substituent Effect Study by DFT and GIAO-DFT

The Journal of Organic Chemistry ◽

10.1021/jo061632s ◽

2006 ◽

Vol 71 (26) ◽

pp. 9643-9650 ◽

Cited By ~ 10

Author(s):

Takao Okazaki ◽

Kenneth K. Laali

Keyword(s):

Substituent Effect ◽

Effect Study

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Catalyzed sigmatropic rearrangements. 10. Mechanism of the palladium dichloride catalyzed Cope rearrangement of acyclic dienes. A substituent effect study

Journal of the American Chemical Society ◽

10.1021/ja00166a034 ◽

1990 ◽

Vol 112 (10) ◽

pp. 3945-3949 ◽

Cited By ~ 50

Author(s):

Larry E. Overman ◽

Alfred E. Renaldo

Keyword(s):

Substituent Effect ◽

Effect Study ◽

Cope Rearrangement ◽

Sigmatropic Rearrangements

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Substituent effect study on the experimental 13C NMR chemical shifts of 3-(substituted phenyl)-3a,4,8,8a-tetrahydro-1,3-dioxepino[5,6-d] [1,2] isoxazoles

Journal of Molecular Structure ◽

10.1016/j.molstruc.2019.04.121 ◽

2019 ◽

Vol 1193 ◽

pp. 158-165 ◽

Cited By ~ 3

Author(s):

Yesim S. Kara ◽

Sümeyye Yalduz

Keyword(s):

13C Nmr ◽

Substituent Effect ◽

Chemical Shifts ◽

Effect Study ◽

Nmr Chemical Shifts ◽

13C Nmr Chemical Shifts

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Substituent effect study on13CβSCS of styrene series. A Yukawa-Tsuno model and Reynolds dual substituent parameter model investigation

Journal of Physical Organic Chemistry ◽

10.1002/poc.1272 ◽

2008 ◽

Vol 21 (2) ◽

pp. 96-101 ◽

Cited By ~ 4

Author(s):

Basil A. Saleh ◽

Sabih A. Al-Shawi ◽

Ghazwan F. Fadhil

Keyword(s):

Substituent Effect ◽

Effect Study ◽

Model Investigation

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Substituent effect study on experimental 13C NMR chemical shifts of (3-(substituted phenyl)-cis-4,5-dihydroisoxazole-4,5-diyl)bis(methylene)diacetate derivatives

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2015.07.032 ◽

2015 ◽

Vol 151 ◽

pp. 723-730 ◽

Cited By ~ 6

Author(s):

Yesim S. Kara

Keyword(s):

13C Nmr ◽

Substituent Effect ◽

Chemical Shifts ◽

Effect Study ◽

Nmr Chemical Shifts ◽

13C Nmr Chemical Shifts

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ChemInform Abstract: On the Reaction Pathway and Stereochemistry of Allylic Tin Reagents- Mediated Benzaldehyde Condensation. A Substituent Effect Study.

ChemInform ◽

10.1002/chin.199147105 ◽

2010 ◽

Vol 22 (47) ◽

pp. no-no

Author(s):

H. YAMATAKA ◽

K. NISHIKAWA ◽

T. HANAFUSA

Keyword(s):

Substituent Effect ◽

Reaction Pathway ◽

Effect Study

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ChemInform Abstract: Reduction of Benzophenone with Metal Hydrides. A Kinetic Isotope Effect and Substituent Effect Study.

ChemInform ◽

10.1002/chin.198829104 ◽

1988 ◽

Vol 19 (29) ◽

Author(s):

H. YAMATAKA ◽

T. HANAFUSA

Keyword(s):

Isotope Effect ◽

Substituent Effect ◽

Kinetic Isotope Effect ◽

Metal Hydrides ◽

Effect Study ◽

Kinetic Isotope

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Synthesis and Substituent Effect Study on 13C NMR Chemical Shifts of 4-(substitue-phenyl)-6-methyl-3-phenyl-4H-1,2,4-oxadiazin-5(6H)-one

Journal of Molecular Structure ◽

10.1016/j.molstruc.2021.131787 ◽

2021 ◽

pp. 131787

Author(s):

Yesim S. Kara ◽

Berna Yıldız

Keyword(s):

13C Nmr ◽

Substituent Effect ◽

Chemical Shifts ◽

Effect Study ◽

Nmr Chemical Shifts ◽

13C Nmr Chemical Shifts

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Substituent Effect Study for 13Cβ SCS in a Meta-Styrene Series. Reynolds Dual Substituent Parameter Model Investigation

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.1c02645 ◽

2021 ◽

Vol 125 (36) ◽

pp. 7759-7768

Author(s):

Basil A. Saleh ◽

Sabih A. Al-Shawi ◽

Ghazwan F. Fadhil

Keyword(s):

Substituent Effect ◽

Effect Study ◽

Model Investigation

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Cyclopropylcarbinyl 3,5-dinitrobenzoate solvolysis. 1-Ring substituent effect study

The Journal of Organic Chemistry ◽

10.1021/jo01254a007 ◽

1969 ◽

Vol 34 (2) ◽

pp. 285-287 ◽

Cited By ~ 5

Author(s):

Donald D. Roberts

Keyword(s):

Substituent Effect ◽

Effect Study ◽

Ring Substituent

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Photorearrangements of bicyclo[3.2.1]oct-2-en-7-ones. A substituent effect study. Mechanistic studies in photochemistry. 19

Journal of the American Chemical Society ◽

10.1021/ja00487a078 ◽

1978 ◽

Vol 100 (19) ◽

pp. 6278-6280 ◽

Cited By ~ 6

Author(s):

Richard S. Givens ◽

Woo Ki Chae

Keyword(s):

Substituent Effect ◽

Effect Study ◽

Mechanistic Studies

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