Theoretical Analysis of Molecular Structure, Hydrogen Bond Strength, and Proton Transfer Energy in O−H··O Aromatic Compounds

J. Palomar; J. L. G. De Paz; J. Catalán

doi:10.1021/jp994067o

Theoretical Analysis of Molecular Structure, Hydrogen Bond Strength, and Proton Transfer Energy in O−H··O Aromatic Compounds

The Journal of Physical Chemistry A ◽

10.1021/jp994067o ◽

2000 ◽

Vol 104 (27) ◽

pp. 6453-6463 ◽

Cited By ~ 27

Author(s):

J. Palomar ◽

J. L. G. De Paz ◽

J. Catalán

Keyword(s):

Molecular Structure ◽

Hydrogen Bond ◽

Theoretical Analysis ◽

Proton Transfer ◽

Bond Strength ◽

Aromatic Compounds ◽

Transfer Energy ◽

Hydrogen Bond Strength

Download Full-text

Effect of proton transfer on neighboring hydrogen-bond strength

International Journal of Quantum Chemistry ◽

10.1002/qua.560400709 ◽

1991 ◽

Vol 40 (S18) ◽

pp. 37-48

Author(s):

Steve Scheiner ◽

Wa On Yu

Keyword(s):

Hydrogen Bond ◽

Proton Transfer ◽

Bond Strength ◽

Hydrogen Bond Strength

Download Full-text

Stabilizing factors of the molecular structure in silicon-based peptidomimetics in gas-phase and water solution. Assessment of the correlation between different descriptors of hydrogen bond strength

Journal of Molecular Modeling ◽

10.1007/s00894-013-1945-2 ◽

2013 ◽

Vol 19 (10) ◽

pp. 4293-4304 ◽

Cited By ~ 1

Author(s):

María Pilar Gema Rodríguez Ortega ◽

Manuel Montejo ◽

Juan Jesús López González

Keyword(s):

Molecular Structure ◽

Hydrogen Bond ◽

Bond Strength ◽

Gas Phase ◽

Water Solution ◽

Hydrogen Bond Strength ◽

Silicon Based ◽

Stabilizing Factors

Download Full-text

Inequivalence of substitution pairs in hydroxynaphthaldehyde: A theoretical measurement by intramolecular hydrogen bond strength, aromaticity, and excited-state intramolecular proton transfer reaction

Journal of Computational Chemistry ◽

10.1002/jcc.21592 ◽

2010 ◽

Vol 32 (1) ◽

pp. 1-14 ◽

Cited By ~ 47

Author(s):

Subrata Mahanta ◽

Bijan Kumar Paul ◽

Rupashree Balia Singh ◽

Nikhil Guchhait

Keyword(s):

Hydrogen Bond ◽

Excited State ◽

Proton Transfer ◽

Bond Strength ◽

Intramolecular Hydrogen Bond ◽

Transfer Reaction ◽

Proton Transfer Reaction ◽

Intramolecular Proton Transfer ◽

Hydrogen Bond Strength ◽

Intramolecular Hydrogen

Download Full-text

Molecular structure and intramolecular hydrogen bond strength of 3-methyl-4-amino-3-penten-2-one and its N Me and N-Ph substitutions by experimental and theoretical methods

Journal of Molecular Structure ◽

10.1016/j.molstruc.2019.02.007 ◽

2019 ◽

Vol 1184 ◽

pp. 233-245 ◽

Cited By ~ 3

Author(s):

Seyedabdollah Seyedkatouli ◽

Mohammad Vakili ◽

Sayyed Faramarz Tayyari ◽

Poul Erik Hansen ◽

Fadhil S. Kamounah

Keyword(s):

Molecular Structure ◽

Hydrogen Bond ◽

Bond Strength ◽

Intramolecular Hydrogen Bond ◽

Theoretical Methods ◽

Hydrogen Bond Strength ◽

Intramolecular Hydrogen

Download Full-text

Molecular structure, hydrogen bond strength, and infrared Fourier transform vibrational assignment of 2,6-dimethylheptane-3,5-dione

Journal of Molecular Structure ◽

10.1016/j.molstruc.2021.130803 ◽

2021 ◽

pp. 130803

Author(s):

Zahra Sayyar ◽

Mohammad Vakili ◽

Ayoub Kanaani ◽

Seyed Saman Vakili ◽

Hossein Eshghi

Keyword(s):

Molecular Structure ◽

Hydrogen Bond ◽

Fourier Transform ◽

Bond Strength ◽

Vibrational Assignment ◽

Hydrogen Bond Strength

Download Full-text

Conformations, molecular structure, and N–H⋯O hydrogen bond strength in 4-Alkylamino-3-penten-2-ones

Journal of Molecular Structure ◽

10.1016/j.molstruc.2019.127440 ◽

2020 ◽

Vol 1203 ◽

pp. 127440 ◽

Cited By ~ 1

Author(s):

Samira Soltani-Ghoshkhaneh ◽

Mohammad Vakili ◽

Ali Reza Berenji ◽

Vahidreza Darugar ◽

Sayyed Faramaraz Tayyari

Keyword(s):

Molecular Structure ◽

Hydrogen Bond ◽

Bond Strength ◽

Hydrogen Bond Strength

Download Full-text

Molecular structure, intramolecular hydrogen bond strength, vibrational assignment, and spectroscopic insight of 4-phenylamino-3-penten-2-one and its derivatives; A theoretical and experimental study

Journal of Molecular Liquids ◽

10.1016/j.molliq.2021.116035 ◽

2021 ◽

pp. 116035

Author(s):

Vahidreza Darugar ◽

Mohammad Vakili ◽

Sayyed Faramarz Tayyari ◽

Poul Erik Hansen ◽

Fadhil S. Kamounah

Keyword(s):

Molecular Structure ◽

Experimental Study ◽

Hydrogen Bond ◽

Bond Strength ◽

Intramolecular Hydrogen Bond ◽

Vibrational Assignment ◽

Hydrogen Bond Strength ◽

Intramolecular Hydrogen

Download Full-text

Faculty Opinions recommendation of Enhancement of hydrophobic interactions and hydrogen bond strength by cooperativity: synthesis, modeling, and molecular dynamics simulations of a congeneric series of thrombin inhibitors.

Faculty Opinions – Post-Publication Peer Review of the Biomedical Literature ◽

10.3410/f.13372988.14743099 ◽

2011 ◽

Author(s):

Martin Stahl

Keyword(s):

Molecular Dynamics ◽

Hydrogen Bond ◽

Bond Strength ◽

Molecular Dynamics Simulations ◽

Hydrophobic Interactions ◽

Thrombin Inhibitors ◽

Hydrogen Bond Strength ◽

Dynamics Simulations

Download Full-text

Non-covalent interactions in aminoalcohols: quantification of the intra-molecular hydrogen bond strength from the enthalpy of vaporization and quantum chemistry

Journal of Molecular Liquids ◽

10.1016/j.molliq.2021.118322 ◽

2021 ◽

pp. 118322

Author(s):

Riko Siewert ◽

Kseniya V. Zherikova ◽

Sergey P. Verevkin

Keyword(s):

Hydrogen Bond ◽

Quantum Chemistry ◽

Bond Strength ◽

Molecular Hydrogen ◽

Enthalpy Of Vaporization ◽

Molecular Hydrogen Bond ◽

Hydrogen Bond Strength ◽

Non Covalent Interactions ◽

Covalent Interactions

Download Full-text

Stability of Complexes of Phenylacetylides and Benzyl Alkoxides with Methanol in the Gas Phase. Acid–Base Correlation in the Ionic Hydrogen-Bond Strength

Bulletin of the Chemical Society of Japan ◽

10.1246/bcsj.79.1118 ◽

2006 ◽

Vol 79 (7) ◽

pp. 1118-1125 ◽

Cited By ~ 1

Author(s):

Mustanir ◽

Mio Matsuoka ◽

Masaaki Mishima ◽

Heinz Koch

Keyword(s):

Hydrogen Bond ◽

Bond Strength ◽

Gas Phase ◽

Acid Base ◽

Hydrogen Bond Strength ◽

Stability Of Complexes

Download Full-text