A Theoretical DFT Study on the Structural Parameters and Intramolecular Hydrogen-Bond Strength in Substituted (Z)-N-(Thionitrosomethylene)thiohydroxylamine Systems

Heidar Raissi; Azadeh Khanmohammadi; Fariba Mollania

doi:10.1246/bcsj.20120242

A Theoretical DFT Study on the Structural Parameters and Intramolecular Hydrogen-Bond Strength in Substituted (Z)-N-(Thionitrosomethylene)thiohydroxylamine Systems

Bulletin of the Chemical Society of Japan ◽

10.1246/bcsj.20120242 ◽

2013 ◽

Vol 86 (11) ◽

pp. 1261-1271 ◽

Cited By ~ 3

Author(s):

Heidar Raissi ◽

Azadeh Khanmohammadi ◽

Fariba Mollania

Keyword(s):

Hydrogen Bond ◽

Bond Strength ◽

Intramolecular Hydrogen Bond ◽

Structural Parameters ◽

Dft Study ◽

Hydrogen Bond Strength ◽

Intramolecular Hydrogen

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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

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Correlation Between Parameters Related to Intramolecular Hydrogen Bond Strength and Hammett Constant in Para Substituted Benzoylacetone (A Theoretical and Experimental Study)

Oriental Journal Of Chemistry ◽

10.13005/ojc/330555 ◽

2017 ◽

Vol 33 (5) ◽

pp. 2579-2590 ◽

Cited By ~ 2

Author(s):

Vahidreza Darugar ◽

Mohammad Vakili ◽

Sayyed Faramarz Tayyari ◽

Hosein Eshghi ◽

Raheleh Afzali

Keyword(s):

Experimental Study ◽

Hydrogen Bond ◽

Bond Strength ◽

Intramolecular Hydrogen Bond ◽

Hammett Constant ◽

Hydrogen Bond Strength ◽

Intramolecular Hydrogen

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Intramolecular Hydrogen Bond Strength and pKaDetermination ofN,N‘-Disubstituted Imidazole-4,5-dicarboxamides

Organic Letters ◽

10.1021/ol047812a ◽

2005 ◽

Vol 7 (1) ◽

pp. 135-138 ◽

Cited By ~ 11

Author(s):

Jeremy R. Rush ◽

Stacey L. Sandstrom ◽

Jianqing Yang ◽

Rebecca Davis ◽

Om Prakash ◽

...

Keyword(s):

Hydrogen Bond ◽

Bond Strength ◽

Intramolecular Hydrogen Bond ◽

Hydrogen Bond Strength ◽

Intramolecular Hydrogen

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Effect of substitutions on the geometry and intramolecular hydrogen bond strength in meta-benziporphodimethenes: A new porphyrin analogue

Journal of Molecular Structure ◽

10.1016/j.molstruc.2020.128773 ◽

2020 ◽

Vol 1220 ◽

pp. 128773 ◽

Cited By ~ 2

Author(s):

Deepali Ahluwalia ◽

Anil Kumar ◽

Sudhir G. Warkar ◽

Milind M. Deshmukh

Keyword(s):

Hydrogen Bond ◽

Bond Strength ◽

Intramolecular Hydrogen Bond ◽

Hydrogen Bond Strength ◽

Intramolecular Hydrogen

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The subtle electronic effects of alkyl groups on the conformational equilibria and intramolecular hydrogen-bond strength in cis-3-alkoxycyclohexanols

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2007.10.016 ◽

2008 ◽

Vol 70 (5) ◽

pp. 1079-1086 ◽

Cited By ~ 6

Author(s):

Paulo R. de Oliveira ◽

Roberto Rittner

Keyword(s):

Hydrogen Bond ◽

Bond Strength ◽

Intramolecular Hydrogen Bond ◽

Electronic Effects ◽

Hydrogen Bond Strength ◽

Alkyl Groups ◽

Conformational Equilibria ◽

Intramolecular Hydrogen ◽

In Cis

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Molecular Dynamics and Quantum Chemical Approach for the Estimation of an Intramolecular Hydrogen Bond Strength in Okadaic Acid

The Journal of Physical Chemistry B ◽

10.1021/acs.jpcb.8b03272 ◽

2018 ◽

Vol 122 (29) ◽

pp. 7233-7242

Author(s):

Toru Matsui ◽

Kanako Yamamoto ◽

Takehiro Fujita ◽

Kenji Morihashi

Keyword(s):

Molecular Dynamics ◽

Hydrogen Bond ◽

Bond Strength ◽

Intramolecular Hydrogen Bond ◽

Okadaic Acid ◽

Quantum Chemical ◽

Hydrogen Bond Strength ◽

Chemical Approach ◽

Quantum Chemical Approach ◽

Intramolecular Hydrogen

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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

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Solvent effect on the intramolecular hydrogen bond strength and on the isotopic ratio .nu.NH+/.nu.ND+ in a trisubstituted Mannich base

The Journal of Physical Chemistry ◽

10.1021/j100299a011 ◽

1987 ◽

Vol 91 (15) ◽

pp. 3974-3977 ◽

Cited By ~ 25

Author(s):

Maria. Rospenk ◽

T. Zeegers-Huyskens

Keyword(s):

Hydrogen Bond ◽

Bond Strength ◽

Solvent Effect ◽

Intramolecular Hydrogen Bond ◽

Mannich Base ◽

Isotopic Ratio ◽

Hydrogen Bond Strength ◽

Intramolecular Hydrogen

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Ground-state tautomerism and rotational isomerization in 4,5-dimethyl-2-(2-hydroxyphenyl)imidazole in the gas phase and in polar solvents: a theoretical study of the aromaticity, intramolecular hydrogen-bond strength and differential solute–solvent interactions

Physical Chemistry Chemical Physics ◽

10.1039/b102773p ◽

2001 ◽

Vol 3 (17) ◽

pp. 3569-3579 ◽

Cited By ~ 19

Author(s):

J. Luis Pe′rez-Lustres ◽

Michael Bräuer ◽

Manuel Mosquera ◽

Timothy Clark

Keyword(s):

Hydrogen Bond ◽

Bond Strength ◽

Gas Phase ◽

Intramolecular Hydrogen Bond ◽

Ground State ◽

Theoretical Study ◽

Polar Solvents ◽

Solvent Interactions ◽

Hydrogen Bond Strength ◽

Intramolecular Hydrogen

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The presentation of an approach for estimating the intramolecular hydrogen bond strength in conformational study of β-Aminoacrolein

Journal of Molecular Structure THEOCHEM ◽

10.1016/j.theochem.2005.04.018 ◽

2005 ◽

Vol 730 (1-3) ◽

pp. 161-169 ◽

Cited By ~ 67

Author(s):

AliReza Nowroozi ◽

Haidar Raissi ◽

Farzaneh Farzad

Keyword(s):

Hydrogen Bond ◽

Bond Strength ◽

Intramolecular Hydrogen Bond ◽

Conformational Study ◽

Hydrogen Bond Strength ◽

Intramolecular Hydrogen

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