A two-parameter model for estimating hydrogen bond enthalpies of reaction

✍ Scribed by Paul E. Rider

• Publisher: John Wiley and Sons
• Year: 1980
• Tongue: English
• Weight: 630 KB
• Volume: 25
• Category: Article
• ISSN: 0021-8995
• DOI: 10.1002/app.1980.070251228

✦ Synopsis

A two-parameter equation is developed that allows for the estimation of the enthalpies of hydrogen formation between two compounds. The compound acting as a proton donor is assigned a donating parameter, and the compound acting as a proton acceptor is assigned an accepting parameter. The compounds described can be assigned both a donating and an accepting parameter. These parameters are derived either from the observed linear relationship between measured hydrogen bond enthalpies and the shift in the OH stretching frequency of alcohols or from the estimated contribution of hydrogen bonding to the cohesive energy density of liquids. The donating parameters correlate well with observed autoprotolysis constants for several compounds, and the accepting parameters correlate well with observed equilibrium constants for the protonation reaction in which a compound (base) gains a proton. The ability to estimate enthalpies is important in predicting polymeric resin solubilities in solvents.