scholarly journals Front Cover: Hydrogen Bonding of N‐Heterocyclic Carbenes in Solution: Mechanisms of Solvent Reorganization (Chem. Eur. J. 45/2018)

2018 ◽  
Vol 24 (45) ◽  
pp. 11513-11513
Author(s):  
Sascha Gehrke ◽  
Oldamur Hollóczki
Keyword(s):  
Hydrogen Bonding ◽  
Heterocyclic Carbenes ◽  
Front Cover

N-Heterocyclic Carbenes and Parent Cations: Acidity, Nucleophilicity, Stability, and Hydrogen Bonding-Electrochemical Study and Ab Initio Calculations

2016 ◽  
Vol 3 (7) ◽  
pp. 1133-1141 ◽  
Author(s):  
Marta Feroci ◽  
Isabella Chiarotto ◽  
Francesca D'Anna ◽  
Fabrizio Gala ◽  
Renato Noto ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Heterocyclic Carbenes ◽  
Electrochemical Study

Anion-Exchange-Triggered 1,3-Shift of an NH Proton to Iridium in Protic N-Heterocyclic Carbenes: Hydrogen-Bonding and Ion-Pairing Effects

2009 ◽  
Vol 49 (5) ◽  
pp. 912-917 ◽  
Author(s):  
Guoyong Song ◽  
Yan Su ◽  
Roy A. Periana ◽  
Robert H. Crabtree ◽  
Keli Han ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Anion Exchange ◽  
Ion Pairing ◽  
Heterocyclic Carbenes

scholarly journals Preferential N–H⋯:C hydrogen bonding involving ditopic NH-containing systems and N-heterocyclic carbenes

RSC Advances ◽  
2020 ◽  
Vol 10 (69) ◽  
pp. 42164-42171
Author(s):  
Zacharias J. Kinney ◽  
Arnold L. Rheingold ◽  
John D. Protasiewicz
Keyword(s):  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Heterocyclic Carbenes ◽  
Secondary Amines ◽  
Solution State

Non-traditional hydrogen bonds between a singlet carbene and a series of ditopic secondary amines is detailed. Both the solid- and solution-state metrics reveal the strength of these associations are dependent on the pKa of the NH-containing molecule.

Unveiling the peculiar hydrogen bonding behavior of solvated N-heterocyclic carbenes

2016 ◽  
Vol 18 (1) ◽  
pp. 126-140 ◽  
Author(s):  
Oldamur Hollóczki
Keyword(s):  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Force Field ◽  
Practical Importance ◽  
Md Simulations ◽  
Heterocyclic Carbenes ◽  
Mechanical Force

After fitting a molecular mechanical force field for imidazol-2-ylidenes, MD simulations revealed carbene–carbene and three-center hydrogen bonds of carbenes. The practical importance of these structures is also highlighted.

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