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Conformational pathways of simple six-membered rings
(John Wiley & Sons Ltd, 2010-12)
The conformational equilibria of cyclohexane (as well as its fluoro-, chloro-, methyl-, hydroxy-, and t-butyl derivatives), cyclohexanone, piperidine, tetrahydropyran (and its 2-hydroxy derivative) were studied by ab initio ...
Experimental and theoretical investigation of NMR (2)J(HH) coupling constant on six-membered ring systems containing oxygen or sulfur atoms
(John Wiley & Sons LtdChichesterInglaterra, 2007)
Interconversion Study in 1,4-Substituted Six-Membered Cyclohexane-Type Rings. Structure and Dynamics of trans-1,4-Dibromo-1,4-dicyanocyclohexane
(Universidad de Belgrano - Facultad de Ciencias Exactas y Naturales - Proyectos de Investigación, 2011)
Cyclohexane is an extremely flexible molecule that oscillates, at room temperature, between two clearly distinct and extreme conformations that cannot be distinguished at room temperature; so much so that the NMR spectrum ...
A study about regioisomeric hydroquinones with multiple intramolecular hydrogen bonding
(MDPI AG, 2017)
A theoretical exploration about hydrogen bonding in a series of synthetic regioisomeric antitumor tricyclic hydroquinones is presented. The stabilization energy for the intramolecular hydrogen bond (IHB) formation in four ...
Conformation and stereodynamics of 1,2-diaryltetrahydropyrimidine and of its five- and seven-membered ring analogs
(Elsevier, 2011-11)
The 1-(2-nitrophenyl)-2-(2-methylphenyl)-1,4,5,6-tetrahydropyrimidine and its five- and seven-membered ring analogs were synthesized and their conformational properties investigated by low temperature NMR spectroscopy and ...
Halogenated six-membered rings: a theoretical approach for substituent effects in conformational analysis
(Elsevier Science BvAmsterdamHolanda, 2002)
Conformational and Stereodynamic Behavior of Five to Seven-membered 1-Aryl-2-iminoazacycloalkanes
(American Chemical Society Inc, 2019-03)
The stereodynamic behavior of 1-arylpyrrolidin-2-imines, having a C aryl -N stereogenic axis, has been studied by means of dynamic nuclear magnetic resonance and density functional theory calculations, evaluating the steric ...