Hydrogen bond strength as a function of ring size.

DOI: 10.14469/hpc/2918 Metadata

Created: 2017-08-17 22:17

Last modified: 2017-08-17 22:25

Author: Henry Rzepa

License: Creative Commons: Public Domain Dedication 1.0

Funding: (none given)


One frequently has to confront the question: will a hydrogen bond form between a suitable donor (lone pair or π) and an acceptor? One of the factors to be taken into consideration for hydrogen bonds which are part of a cycle is the ring size. Here I explore one way of quantifying the effect for the series below, n=1-5 (4-8 membered rings).

Member of collection / collaboration

10.14469/hpc/177 Computation data for Henry Rzepa's blog

Associated DOIs

Current dataset ...DOIDescription
References 10.14469/hpc/2917 Blog post
References 10.6084/m9.figshare.105685.v1 Gaussian Job Archive for C5H12O2
References 10.6084/m9.figshare.105686.v1 Gaussian Job Archive for C4H10O2
References 10.6084/m9.figshare.105687.v1 Gaussian Job Archive for C3H8O2
References 10.6084/m9.figshare.105688.v1 Gaussian Job Archive for C2H6O2
References 10.6084/m9.figshare.105689.v1 Gaussian Job Archive for CH4O2