Some Brief Notes on Theoretical and Experimental Investigations of Intramolecular Hydrogen Bonding

Theoretical investigation of 2-(iminomethyl)phenol in the gas phase as a prototype of ultrafast excited-state intramolecular proton transfer

(2016) Rathawat Daengngern et al.   CHEMICAL PHYSICS LETTERS

Resonance-Assisted Hydrogen Bonding as a Driving Force in Synthesis and a Synthon in the Design of Materials

(2016) Kamran T. Mahmudov et al.   CHEMISTRY-A EUROPEAN JOURNAL

α− N −heterocyclic thiosemicarbazone Fe(III) complex: Characterization of its antitumor activity and identification of anticancer mechanism

(2016) Yi Gou et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Tautomerism in N-(2-hydroxy-1-naphthylidene)amino acids and the search for an answer to the difficult question about where the proton belongs

(2016) Gisela Warncke et al.   JOURNAL OF MOLECULAR STRUCTURE

Hydrogen-bond-reversal symmetry and its violation in ice nanotubes

(2016) Mikhail V. Kirov   Acta Crystallographica A-Foundation and Advances

Density Functional Theory and Hydrogen Bonds: Are We There Yet?

(2015) A. Daniel Boese   CHEMPHYSCHEM

On the origin of donor O–H bond weakening in phenol-water complexes

(2015) Pujarini Banerjee et al.   JOURNAL OF CHEMICAL PHYSICS

Proton transfer in a short hydrogen bond caused by solvation shell fluctuations: an ab initio MD and NMR/UV study of an (OHO)− bonded system

(2015) Svetlana Pylaeva et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Conformational state of β-hydroxynaphthylamides: Barriers for the rotation of the amide group around CN bond and dynamics of the morpholine ring

(2015) Tomasz Kozlecki et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

How Short is the Strongest Hydrogen Bond in the Proton-Bound Homodimers of Pyridine Derivatives?

(2014) Andrey A. Gurinov et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Reciprocal Hydrogen Bonding–Aromaticity Relationships

(2014) Judy I. Wu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Impact of proton transfer phenomena on the electronic structure of model Schiff bases: An AIM/NBO/ELF study

(2013) Jarosław J. Panek et al.   JOURNAL OF CHEMICAL PHYSICS

NMR Studies of Protonation and Hydrogen Bond States of Internal Aldimines of Pyridoxal 5′-Phosphate Acid–Base in Alanine Racemase, Aspartate Aminotransferase, and Poly-l-lysine

(2013) Monique Chan-Huot et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Solvent and H/D Isotope Effects on the Proton Transfer Pathways in Heteroconjugated Hydrogen-Bonded Phenol-Carboxylic Acid Anions Observed by Combined UV–vis and NMR Spectroscopy

(2013) Benjamin Koeppe et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The Pnicogen Bond: Its Relation to Hydrogen, Halogen, and Other Noncovalent Bonds

(2012) Steve Scheiner   ACCOUNTS OF CHEMICAL RESEARCH

Triple hydrogen bonding in a circular arrangement: ab initio, DFT and first-principles MD studies of tris-hydroxyaryl enamines

(2012) Agata Martyniak et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

What is a hydrogen bond? Mutually consistent theoretical and experimental criteria for characterizing H-bonding interactions

(2012) Frank Weinhold et al.   MOLECULAR PHYSICS

Peculiarities of quasi-aromatic hydrogen bonding

(2012) Agata Martyniak et al.   RSC Advances

Critical hydrogen bonds and protonation states of pyridoxal 5′-phosphate revealed by NMR

(2011) Hans-Heinrich Limbach et al.   BIOCHIMICA ET BIOPHYSICA ACTA-PROTEINS AND PROTEOMICS

Relationships between interaction energy, intermolecular distance and electron density properties in hydrogen bonded complexes under external electric fields

(2011) I. Mata et al.   CHEMICAL PHYSICS LETTERS

What Is the Covalency of Hydrogen Bonding?

(2011) Sławomir Janusz Grabowski   CHEMICAL REVIEWS

Direct observation of the substitution effects on the hydrogen bridge dynamics in selected Schiff bases—A comparative molecular dynamics study

(2011) Aneta Jezierska-Mazzarello et al.   JOURNAL OF CHEMICAL PHYSICS

Car-Parrinello and path integral molecular dynamics study of the hydrogen bond in the acetic acid dimer in the gas phase

(2011) Piotr Durlak et al.   JOURNAL OF MOLECULAR MODELING

Probing Quantum and Dynamic Effects in Concerted Proton–Electron Transfer Reactions of Phenol–Base Compounds

(2011) Todd F. Markle et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Reaction Pathways of Proton Transfer in Hydrogen-Bonded Phenol–Carboxylate Complexes Explored by Combined UV–Vis and NMR Spectroscopy

(2011) Benjamin Koeppe et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The photoinduced isomerization and its implication in the photo-dynamical processes in two simple Schiff bases isolated in solid argon

(2011) Joanna Grzegorzek et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Definition of the hydrogen bond (IUPAC Recommendations 2011)

(2011) Elangannan Arunan et al.   PURE AND APPLIED CHEMISTRY

NMR Studies of the Stability, Protonation States, and Tautomerism of13C- and15N-Labeled Aldimines of the Coenzyme Pyridoxal 5′-Phosphate in Water

(2010) Monique Chan-Huot et al.   BIOCHEMISTRY

High-pressure polymorphism in salicylamide

(2010) Russell D. L. Johnstone et al.   CRYSTENGCOMM

Aromaticity balance, π-electron cooperativity and H-bonding properties in tautomerism of salicylideneaniline: the quantum theory of atoms in molecules (QTAIM) approach

(2010) Hasan Karabıyık et al.   JOURNAL OF MOLECULAR MODELING

NMR studies of the protonation states of pyridoxal-5′-phosphate in water

(2010) Monique Chan-Huot et al.   JOURNAL OF MOLECULAR STRUCTURE

Counteranion-dependent mechanisms of intramolecular proton transfer in aprotic solution

(2010) Stepan B. Lesnichin et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Symmetrization of Cationic Hydrogen Bridges of Protonated Sponges Induced by Solvent and Counteranion Interactions as Revealed by NMR Spectroscopy

(2009) Mariusz Pietrzak et al.   CHEMISTRY-A EUROPEAN JOURNAL

Theoretical Insights into Material Properties of Schiff Bases and Related Azo Compounds

(2009) Iran Sheikhshoaie et al.   CURRENT ORGANIC CHEMISTRY

Vibrational Spectra of o-hydroxyphenyl Schiff Bases and Related Compounds

(2009) Aleksander Filarowski et al.   CURRENT ORGANIC CHEMISTRY

Biological Properties of Schiff Bases and Azo Derivatives of Phenols

(2009) Piotr Przybylski et al.   CURRENT ORGANIC CHEMISTRY

Schiff Bases in Biological Systems

(2009) Eglof Ritter et al.   CURRENT ORGANIC CHEMISTRY

Intramolecular Hydrogen Bonding in o-hydroxy Aryl Schiff Bases

(2009) Aleksander Filarowski et al.   CURRENT ORGANIC CHEMISTRY

OHO Hydrogen Bond Geometries and NMR Chemical Shifts: From Equilibrium Structures to Geometric H/D Isotope Effects, with Applications for Water, Protonated Water, and Compressed Ice

(2009) Hans-Heinrich Limbach et al.   ISRAEL JOURNAL OF CHEMISTRY

Homonuclear versus Heteronuclear Resonance-Assisted Hydrogen Bonds: Tautomerism, Aromaticity, and Intramolecular Hydrogen Bonding in Heterocyclic Systems with Different Exocyclic Proton Donor/Acceptor

(2009) Roman I. Zubatyuk et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Proton transfer in the intramolecular NHN+ bonds in proton sponges with different hydrogen bridge flexibility

(2009) Irena Majerz et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Resonance-assisted hydrogen bonding in terms of substituent effect

(2009) Tadeusz M. Krygowski et al.   TETRAHEDRON

Theoretical investigation of tautomeric equilibrium in ortho-hydroxy phenyl Schiff bases

(2008) M. Kluba et al.   CHEMICAL PHYSICS LETTERS

Inelastic neutron scattering and vibrational spectra of 2-(N-methyl-α-iminoethyl)-phenol and 2-(N-methyliminoethyl)-phenol: Experimental and theoretical approach

(2008) A. Filarowski et al.   JOURNAL OF MOLECULAR STRUCTURE

Experimental and Theoretical Studies on Constitutional Isomers of 2,6-Dihydroxynaphthalene Carbaldehydes. Effects of Resonance-Assisted Hydrogen Bonding on the Electronic Absorption Spectra

(2008) Hirohiko Houjou et al.   JOURNAL OF ORGANIC CHEMISTRY

AIM Analysis of Intramolecular Hydrogen Bonding inO-Hydroxy Aryl Schiff Bases

(2008) A. Filarowski et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Density Functional Theory Study of Intramolecular Hydrogen Bonding and Proton Transfer ino-Hydroxyaryl Ketimines

(2008) Aleksander Filarowski et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Structural and aromatic aspects of tautomeric equilibrium in hydroxy aryl Schiff bases

(2008) A. Filarowski et al.   JOURNAL OF PHYSICAL ORGANIC CHEMISTRY

Intra- versus intermolecular hydrogen bonding equilibrium in 2-hydroxy-N,N-diethylbenzamide

(2008) P. Majewska et al.   JOURNAL OF PHYSICAL ORGANIC CHEMISTRY

The effects of C by N replacement on the hydrogen bonding of malonaldehyde: N-formylformimidic acid, N-(hydroxymethyl)formamide and related compounds

(2008) Pablo Sanz et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

2,7-Disubstituted proton sponges as borderline systems for investigating barrier-free intramolecular hydrogen bonds. Protonated 2,7-bis(trimethylsilyl)- and 2,7-di(hydroxymethyl)-1,8-bis(dimethylamino)naphthalenes

(2008) Alexander V. Degtyarev et al.   TETRAHEDRON

The Largest15N–15N Coupling Constant Across an NHN Hydrogen Bond

(2007) Mariusz Pietrzak et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Matrix-isolation FT-IR and theoretical investigation of the competitive intramolecular hydrogen bonding in 5-methyl-3-nitro-2-hydroxyacetophenone

(2007) J. Pajak et al.   JOURNAL OF MOLECULAR STRUCTURE