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CF2H, a Hydrogen Bond Donor

Chanan D. Sessler ; Martin Rahm (Institutionen för kemi och kemiteknik, Fysikalisk kemi) ; Sabine Becker ; Jacob M. Goldberg ; Fang Wang ; Stephen J. Lippard
Journal of the American Chemical Society (0002-7863). Vol. 139 (2017), 27, p. 9325-9332.
[Artikel, refereegranskad vetenskaplig]

The CF2H group, a potential surrogate for the OH group, can act as an unusual hydrogen bond donor, as confirmed by crystallographic, spectroscopic, and computational methods.. Here, we demonstrate the bioisosterism of the OH and CF2H groups and the important roles of CF2-H-O hydrogen bonds in influencing intermolecular interactions and conformational preferences.. Exptl. evidence, corroborated by theory, reveals the distinctive nature of CF2H hydrogen bonding interactions relative to their normal OH hydrogen bonding counterparts.

Nyckelord: hydrogen bonding, blue shifting, energy decomposition analysis, electronegativity



Denna post skapades 2017-07-10. Senast ändrad 2017-09-14.
CPL Pubid: 250596

 

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Institutioner (Chalmers)

Institutionen för kemi och kemiteknik, Fysikalisk kemi

Ämnesområden

Organisk kemi
Teoretisk kemi

Chalmers infrastruktur