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
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
One frequently has to confront the question: will a hydrogen bond form between a suitable donor (lone pair or Ï) 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
| DOI | Description |
|---|---|
| 10.14469/hpc/177 | Computation data for Henry Rzepa's blog |
Associated DOIs
| Current dataset ... | DOI | Description |
|---|---|---|
| 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 |