Hydrogen bonding of organic bases with trifluoroacetic acid in chloroform: A method of calculating association constants of multi-equilibria systems

Hydrogen bonding in diols and binary dio

Hydrogen bonding in diols and binary diol–water systems investigated using DFT methods. II. Calculated infrared OH-stretch frequencies, force constants, and NMR chemical shifts correlate with hydrogen bond geometry and electron density topology. A reevaluation of geometrical criteria for hydrogen bonding

✍ Roger A. Klein 📂 Article 📅 2003 🏛 John Wiley and Sons 🌐 English ⚖ 187 KB 👁 1 views

## Abstract Although the two hydroxyl groups in 1,2‐diols interact as evidenced by NMR and IR spectroscopic shifts, electron density topological analysis has shown a bond critical point (BCP) and atomic bond path to be absent (Klein, R. A.; J Comp Chem 2002, 23, 585–599; J Am Chem Soc 2002, 124, 13