Cycloaddition Reactions between H2C = CHR (R = H, CN, CH3) and a Cyclic P/B Frustrated Lewis Pair: A DFT Study

Manas Ghara; Santanab Giri; Pratim Kumar Chattaraj

doi:10.1021/acs.jpca.0c02799

Cycloaddition Reactions between H2C = CHR (R = H, CN, CH3) and a Cyclic P/B Frustrated Lewis Pair: A DFT Study

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.0c02799 ◽

2020 ◽

Vol 124 (22) ◽

pp. 4455-4462 ◽

Cited By ~ 1

Author(s):

Manas Ghara ◽

Santanab Giri ◽

Pratim Kumar Chattaraj

Keyword(s):

Dft Study ◽

Cycloaddition Reactions ◽

Frustrated Lewis Pair

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DFT Study of Thermal 1,3-Dipolar Cycloaddition Reactions between Alkynyl Metal(0) Fischer Carbene Complexes and 3H-1,2-Dithiole-3-thione Derivatives

Organometallics ◽

10.1021/om1007105 ◽

2011 ◽

Vol 30 (3) ◽

pp. 466-476 ◽

Cited By ~ 35

Author(s):

Diego M. Andrada ◽

Alejandro M. Granados ◽

Miquel Solà ◽

Israel Fernández

Keyword(s):

Dft Study ◽

Dipolar Cycloaddition ◽

Cycloaddition Reactions ◽

Fischer Carbene Complexes ◽

Carbene Complexes ◽

Fischer Carbene

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ChemInform Abstract: Theoretical Study of the 1,3-Dipolar Cycloaddition Reactions of Azomethine Ylides. A DFT Study of Reaction Between Trifluoromethyl Thiomethyl Azomethine Ylide and Acrylonitrile.

ChemInform ◽

10.1002/chin.199934054 ◽

2010 ◽

Vol 30 (34) ◽

pp. no-no

Author(s):

Luis R. Domingo

Keyword(s):

Theoretical Study ◽

Dft Study ◽

Azomethine Ylides ◽

Azomethine Ylide ◽

Dipolar Cycloaddition ◽

Cycloaddition Reactions

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A DFT study on the mechanisms for the cycloaddition reactions between 1−aza-2-azoniaallene cations and acetylenes

Journal of Molecular Modeling ◽

10.1007/s00894-012-1521-1 ◽

2012 ◽

Vol 19 (1) ◽

pp. 83-95 ◽

Cited By ~ 3

Author(s):

Jing-mei Wang ◽

Zhi-ming Li ◽

Quan-rui Wang ◽

Feng-gang Tao

Keyword(s):

Dft Study ◽

Cycloaddition Reactions

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A DFT Study of the Domino Inter [4 + 2]/Intra [3 + 2] Cycloaddition Reactions of Nitroalkenes with Enol Ethers

The Journal of Organic Chemistry ◽

10.1021/jo991507z ◽

2000 ◽

Vol 65 (4) ◽

pp. 1076-1083 ◽

Cited By ~ 21

Author(s):

Luis R. Domingo ◽

Amparo Asensio

Keyword(s):

Dft Study ◽

Cycloaddition Reactions ◽

Enol Ethers

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DFT study on the cycloaddition reactions of [c]-annelated carbo- and heterocyclic five-membered dienes with ethyleneElectronic supplementary information (ESI) available: figures and tables of the principal geometric parameters of all the dienes, transition states and products obtained at the B3LYP/6-31G* level and the Cartesian coordinates of all the optimized structures considered in this study. See http://www.rsc.org/suppdata/p2/b2/b205663a/

Journal of the Chemical Society Perkin Transactions 2 ◽

10.1039/b205663a ◽

2002 ◽

pp. 1902-1908 ◽

Cited By ~ 12

Author(s):

Tandapani C. Dinadayalane ◽

G. Narahari Sastry

Keyword(s):

Transition States ◽

Geometric Parameters ◽

Dft Study ◽

Supplementary Information ◽

Cycloaddition Reactions ◽

Cartesian Coordinates

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A DFT study on the mechanisms for the cycloaddition reactions between 1-Aza-2-azoniaallene cations and carbodiimides

International Journal of Quantum Chemistry ◽

10.1002/qua.23065 ◽

2011 ◽

Vol 112 (3) ◽

pp. 809-822 ◽

Cited By ~ 3

Author(s):

Jing-Mei Wang ◽

Zhi-Minhg Li ◽

Quan-Rui Wang ◽

Feng-Gang Tao

Keyword(s):

Dft Study ◽

Cycloaddition Reactions

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Experimental and Theoretical DFT Study on Synthesis of Sterically Crowded 2,3,3,(4)5-Tetrasubstituted-4-nitroisoxazolidines via 1,3-Dipolar Cycloaddition Reactions Between Ketonitrones and Conjugated Nitroalkenes

Journal of Heterocyclic Chemistry ◽

10.1002/jhet.2442 ◽

2015 ◽

Vol 53 (5) ◽

pp. 1424-1429 ◽

Cited By ~ 23

Author(s):

Radomir Jasiński ◽

Kamila Mróz ◽

Agnieszka Kącka

Keyword(s):

Dft Study ◽

Dipolar Cycloaddition ◽

Cycloaddition Reactions

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Comparative DFT study on the platinum catalyzed [3 + 2] and [2 + 2] cycloaddition reactions between the derivatives of allene and alkene

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2019.112507 ◽

2019 ◽

Vol 1163 ◽

pp. 112507

Author(s):

Rohini Saha ◽

Arpita Chatterjee ◽

Sonjoy Mondal ◽

Poulami Pal ◽

Kuheli Chakrabarty ◽

...

Keyword(s):

Dft Study ◽

Cycloaddition Reactions ◽

Derivatives Of

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A DFT study on the 1,3-dipolar cycloaddition reactions of C-(hetaryl) nitrones with methyl acrylate and vinyl acetate

Tetrahedron ◽

10.1016/j.tet.2006.11.073 ◽

2007 ◽

Vol 63 (6) ◽

pp. 1448-1458 ◽

Cited By ~ 31

Author(s):

Pedro Merino ◽

Tomas Tejero ◽

Ugo Chiacchio ◽

Giovanni Romeo ◽

Antonio Rescifina

Keyword(s):

Vinyl Acetate ◽

Methyl Acrylate ◽

Dft Study ◽

Dipolar Cycloaddition ◽

Cycloaddition Reactions

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DFT Study of the Cycloaddition Reactions of Strained Alkynes

Journal of the American Chemical Society ◽

10.1021/ja010590g ◽

2001 ◽

Vol 123 (27) ◽

pp. 6706-6707 ◽

Cited By ~ 29

Author(s):

Steven M. Bachrach ◽

John C. Gilbert ◽

Darin W. Laird

Keyword(s):

Dft Study ◽

Cycloaddition Reactions

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Cycloaddition Reactions between H2C = CHR (R = H, CN, CH3) and a Cyclic P/B Frustrated Lewis Pair: A DFT Study

DFT Study of Thermal 1,3-Dipolar Cycloaddition Reactions between Alkynyl Metal(0) Fischer Carbene Complexes and 3H-1,2-Dithiole-3-thione Derivatives

ChemInform Abstract: Theoretical Study of the 1,3-Dipolar Cycloaddition Reactions of Azomethine Ylides. A DFT Study of Reaction Between Trifluoromethyl Thiomethyl Azomethine Ylide and Acrylonitrile.

A DFT study on the mechanisms for the cycloaddition reactions between 1−aza-2-azoniaallene cations and acetylenes

A DFT Study of the Domino Inter [4 + 2]/Intra [3 + 2] Cycloaddition Reactions of Nitroalkenes with Enol Ethers

A DFT study on the mechanisms for the cycloaddition reactions between 1-Aza-2-azoniaallene cations and carbodiimides

Experimental and Theoretical DFT Study on Synthesis of Sterically Crowded 2,3,3,(4)5-Tetrasubstituted-4-nitroisoxazolidines via 1,3-Dipolar Cycloaddition Reactions Between Ketonitrones and Conjugated Nitroalkenes

Comparative DFT study on the platinum catalyzed [3 + 2] and [2 + 2] cycloaddition reactions between the derivatives of allene and alkene

A DFT study on the 1,3-dipolar cycloaddition reactions of C-(hetaryl) nitrones with methyl acrylate and vinyl acetate

DFT Study of the Cycloaddition Reactions of Strained Alkynes

Comparative DFT study on the platinum catalyzed [3 + 2] and [2 + 2] cycloaddition reactions between the derivatives of allene and alkene