Ligand Properties of Boron-Substituted Five-, Six-, and Seven-Membered Heterocyclic Carbenes: A Theoretical Study

2013 ◽  
Vol 32 (11) ◽  
pp. 3238-3248 ◽  
Author(s):  
Ashwini K. Phukan ◽  
Ankur Kanti Guha ◽  
Satyajit Sarmah
Keyword(s):  
Theoretical Study ◽  
Heterocyclic Carbenes

Theoretical study of the mechanism for the sequential N–O and N–N bond cleavage within N2O adducts of N-heterocyclic carbenes by a vanadium(iii) complex

2016 ◽  
Vol 45 (3) ◽  
pp. 1047-1054 ◽  
Author(s):  
Robert Robinson ◽  
Miranda F. Shaw ◽  
Robert Stranger ◽  
Brian F. Yates
Keyword(s):  
Theoretical Study ◽  
Bond Cleavage ◽  
Heterocyclic Carbenes

The addition of N-heterocyclic carbene (NHC) increases the activity of N2O towards cleavage of both the N–O and N–N bonds.

One-Electron Oxidation of a Disilicon(0) Compound: An Experimental and Theoretical Study of [Si2]+Trapped by N-Heterocyclic Carbenes

2015 ◽  
Vol 21 (35) ◽  
pp. 12509-12516 ◽  
Author(s):  
Marius I. Arz ◽  
Martin Straßmann ◽  
Andreas Meyer ◽  
Gregor Schnakenburg ◽  
Olav Schiemann ◽  
...  
Keyword(s):  
Theoretical Study ◽  
Heterocyclic Carbenes

Trapping CO2by Adduct Formation with Nitrogen Heterocyclic Carbenes (NHCs): A Theoretical Study

2017 ◽  
Vol 23 (44) ◽  
pp. 10604-10609 ◽  
Author(s):  
Ibon Alkorta ◽  
M. Merced Montero-Campillo ◽  
José Elguero
Keyword(s):  
Theoretical Study ◽  
Adduct Formation ◽  
Heterocyclic Carbenes ◽  
Nitrogen Heterocyclic

Adduct formation of [(η7-C7H7)Hf(η5-C5H5)] with isocyanides, phosphines and N-heterocyclic carbenes: An experimental and theoretical study

2009 ◽  
Vol 694 (7-8) ◽  
pp. 1244-1250 ◽  
Author(s):  
Susanne Büschel ◽  
Thomas Bannenberg ◽  
Cristian G. Hrib ◽  
Andreas Glöckner ◽  
Peter G. Jones ◽  
...  
Keyword(s):  
Theoretical Study ◽  
Adduct Formation ◽  
Heterocyclic Carbenes

Theoretical Study of N-Heterocyclic Carbenes-Catalyzed Cascade Annulation of Benzodienones and Enals

Chirality ◽  
2013 ◽  
Vol 25 (9) ◽  
pp. 521-528 ◽  
Author(s):  
Hui Sun ◽  
Xinqiang Fang ◽  
Yonggui Robin Chi ◽  
Guohui Li
Keyword(s):  
Theoretical Study ◽  
Heterocyclic Carbenes

scholarly journals Mechanistic insights into the insertion and addition reactions of group 13 analogues of the six-membered N-heterocyclic carbenes: interplay of electrophilicity, basicity, and aromaticity governing the reactivity

RSC Advances ◽  
2021 ◽  
Vol 11 (33) ◽  
pp. 20070-20080
Author(s):  
Zheng-Feng Zhang ◽  
Ming-Der Su
Keyword(s):  
Theoretical Study ◽  
Chemical Reactivity ◽  
Atomic Radius ◽  
Theoretical Models ◽  
Membered Ring ◽  
Heterocyclic Carbenes ◽  
Addition Reactions ◽  
Group 13

On the basis of sophisticated theoretical models, the theoretical study demonstrated that the atomic radius of a group 13 element in a six-membered-ring NHC analogue plays an important role in determining its chemical reactivity.

Cyclodimerization versus Polymerization of Methyl Methacrylate Induced byN-Heterocyclic Carbenes: A Combined Experimental and Theoretical Study

2014 ◽  
Vol 20 (14) ◽  
pp. 3989-3997 ◽  
Author(s):  
Winnie Nzahou Ottou ◽  
Damien Bourichon ◽  
Joan Vignolle ◽  
Anne-Laure Wirotius ◽  
Fredéric Robert ◽  
...  
Keyword(s):  
Methyl Methacrylate ◽  
Theoretical Study ◽  
Heterocyclic Carbenes
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