✦ LIBER ✦

Electronic Effects on O−H Proton Dissociation Energies of Phenolic Cation Radicals: A DFT Study †

✍ Scribed by Zhang, Hong-Yu; Sun, You-Min; Wang, Xiu-Li

Book ID: 127144802
Publisher: American Chemical Society
Year: 2002
Tongue: English
Weight: 59 KB
Volume: 67
Category: Article
ISSN: 0022-3263
DOI: 10.1021/jo016234y

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Water Effect on the O−H Dissociation Ent

Water Effect on the O−H Dissociation Enthalpy of Para-Substituted Phenols: a DFT Study

✍ Guerra, Maurizio; Amorati, Riccardo; Pedulli, Gian Franco 📂 Article 📅 2004 🏛 American Chemical Society 🌐 English ⚖ 152 KB

A Computational Analysis of Substituent

A Computational Analysis of Substituent Effects on the O−H Bond Dissociation Energy in Phenols: Polar Versus Radical Effects

✍ Brinck, Tore; Haeberlein, Markus; Jonsson, Mats 📂 Article 📅 1997 🏛 American Chemical Society 🌐 English ⚖ 161 KB

O-H Bond Dissociation Energies of Phenol

O-H Bond Dissociation Energies of Phenolic Compounds are Determined by Field/Inductive Effect or Resonance Effect?A DFT Study and Its Implication

✍ Zhang, Hong-Yu ;Sun, You-Min ;Chen, De-Zhan 📂 Article 📅 2001 🏛 John Wiley and Sons 🌐 English ⚖ 289 KB 👁 2 views

The electronic effects on O-H bond dissociation energy (BDE) of phenolic compounds have been investigated by a density functional theory (DFT) calculation on 6-31G(d, p) basis set. For para substituted phenols, the stability of phenoxy radical (SPR), the stability of parent molecule (SPM) and the re

A Density Functional Study of Substituen

A Density Functional Study of Substituent Effects on the O−H and O−CH 3 Bond Dissociation Energies in Phenol and Anisole

✍ Wu, Yun-Dong; Lai, David K. W. 📂 Article 📅 1996 🏛 American Chemical Society 🌐 English ⚖ 317 KB

Effect of Substituents on the P−H Bond D

Effect of Substituents on the P−H Bond Dissociation Enthalpies of Phenylphosphines and Proton Affinities of Phenylphosphine Anions: A DFT Study

✍ Nam, Pham-Cam; Nguyen, Minh Tho; Chandra, Asit K. 📂 Article 📅 2004 🏛 American Chemical Society 🌐 English ⚖ 76 KB