Energetics and cooperativity in three-center hydrogen bonding interactions. II. Intramolecular hydrogen bonding systems
Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review
Author(s)
Detail(s)
| Original language | English |
|---|---|
| Pages (from-to) | 6036-6041 |
| Journal / Publication | Journal of Chemical Physics |
| Volume | 115 |
| Issue number | 13 |
| Publication status | Published - 1 Oct 2001 |
| Externally published | Yes |
Link(s)
Abstract
A comprehensive ab initio study was conducted on a series of amide structures containing intramolecular two- and three-center H-bonding interactions. The superior strength of a two-center H bond in a six-membered ring as opposed to a five-membered ring was demonstrated by a consortia of H-bonding indicators. The results show that the relative stability of isomers containing a H bond does not necessarily parallel the strength of the H-bond itself.
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Citation Format(s)
Energetics and cooperativity in three-center hydrogen bonding interactions. II. Intramolecular hydrogen bonding systems. / Parra, Rubén D.; Gong, Bing; Zeng, X. C.
In: Journal of Chemical Physics, Vol. 115, No. 13, 01.10.2001, p. 6036-6041.
In: Journal of Chemical Physics, Vol. 115, No. 13, 01.10.2001, p. 6036-6041.
Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review
