English (United Kingdom)

https://curated-unify.zendy.io/wp-json/zendy-region/v1/featured_content/oa?rat=en

https://curated-unify.zendy.io/wp-json/zendy-region/v1/highlighted_journal/

Zendy Plus

Presents the access of premium content as premium feature

Premium Content

Presents the keyphrase highlighting as premium feature

Keyphrase Highlighting

Presents the summarisation as premium feature

Summarisation

Insights

Presents the pdf analysis as premium feature

PDF Analysis

Presents the zaia usage as premium feature

ZAIA

Zendy Tools

Zendy Open

Monte Carlo statistical mechanics simulations, density-functional theory calculations, time-resolved photoacoustic calorimetry, and isoperibol reaction-solution calorimetry experiments were carried out to investigate the solvation enthalpies and solvent effects on the energetics of the phenol O−H bond in benzene and acetonitrile. A good agreement between theoretical and experimental results is obtained for the solvation enthalpies of phenol in benzene and acetonitrile. The theoretical calculations also indicate that the differences between the solvation enthalpies of phenol (PhOH) and phenoxy radical (PhO•) in both benzene and acetonitrile are significantly smaller than previous estimations based on the ECW model. The results for the solvation enthalpies are used to obtain the O−H bond dissociation enthalpies in benzene and acetonitrile. For benzene and acetonitrile, the theoretical results of 89.4 ± 1.2 and 90.5 ± 1.7 kcal mol-1, respectively, are in good agreement with the experimental values (90.9 ± 1....

Solvent Effects on the Energetics of the Phenol O−H Bond: Differential Solvation of Phenol and Phenoxy Radical in Benzene and Acetonitrile