Ab initio DFT study of the rotation barriers and competitive hydrogen bond energies (in gas phase and water solution) of 2-nitroresorcinol, 4,6-dinitroresorcinol and 2-nitrophenol in their neutral and deprotonated conformations
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference41 articles.
1. Hydrogen Bond, Tautomerism, and Structure of 2-Nitroresorcinol: A Microwave Spectroscopy Study
2. Intramolecular hydrogen bonding and molecular structure of 2-nitroresorcinol from gas-phase electron diffraction
3. Intramolecular Hydrogen Bonding and Molecular Geometry of 2-Nitrophenol from a Joint Gas-Phase Electron Diffraction and ab Initio Molecular Orbital Investigation
4. Geometrical consequences of resonance-assisted intramolecular hydrogen-bond formation from Ab initio MO calculations on 2-nitroresorcinol
5. Theoretical Study on Some Nitroresorcinols: Intramolecular Hydrogen Bonding
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