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The observation of a large gauche preference when 2-fluoroethylamine and 2-fluoroethanol become protonated.
Briggs CR, Allen MJ, O'Hagan D, Tozer DJ, Slawin AM, Goeta AE, Howard JA. Briggs CR, et al. Org Biomol Chem. 2004 Mar 7;2(5):732-40. doi: 10.1039/b312188g. Epub 2004 Feb 2. Org Biomol Chem. 2004. PMID: 14985814
The energies of the gauche and anti conformers of 2-fluoroethylamine, 2-fluoroethanol and their protonated analogues are calculated using density functional theory. ...
The energies of the gauche and anti conformers of 2-fluoroethylamine, 2-fluoroethanol and their protonated analogues are calcu …
Conformational preferences and basicities of monofluorinated cyclopropyl amines in comparison to cyclopropylamine and 2-fluoroethylamine.
Hyla-Kryspin I, Grimme S, Hruschka S, Haufe G. Hyla-Kryspin I, et al. Org Biomol Chem. 2008 Nov 21;6(22):4167-75. doi: 10.1039/b810108f. Epub 2008 Sep 22. Org Biomol Chem. 2008. PMID: 18972047
On the basis of MP2 and SCS-MP2 calculations, we discuss the conformational preferences and basicity of the diastereoisomeric 2-fluorocyclopropylamines (cis-2 and trans-2) in comparison to those of cyclopropylamine (1) and 2-fluoroethylamine (3). 1 and 2 are viewed …
On the basis of MP2 and SCS-MP2 calculations, we discuss the conformational preferences and basicity of the diastereoisomeric 2-fluorocyclop …
Conformational analysis of 2,2-difluoroethylamine hydrochloride: double gauche effect.
Silla JM, Duarte CJ, Cormanich RA, Rittner R, Freitas MP. Silla JM, et al. Beilstein J Org Chem. 2014 Apr 16;10:877-82. doi: 10.3762/bjoc.10.84. eCollection 2014. Beilstein J Org Chem. 2014. PMID: 24778743 Free PMC article.
The gauche effect in fluorinated alkylammonium salts is well known and attributed either to an intramolecular hydrogen bond or to an electrostatic attraction between the positively charged nitrogen and the vicinal electronegative fluorine atom. This work reports the effect of add …
The gauche effect in fluorinated alkylammonium salts is well known and attributed either to an intramolecular hydrogen bond or to an electro …
Na+ and solute diffusion in aqueous channels of Myverol bicontinuous cubic phase: PGSE NMR and computer modelling.
Larkin TJ, Garvey CJ, Shishmarev D, Kuchel PW, Momot KI. Larkin TJ, et al. Magn Reson Chem. 2017 May;55(5):464-471. doi: 10.1002/mrc.4432. Epub 2016 Mar 22. Magn Reson Chem. 2017. PMID: 27002682
The apparent diffusion coefficients of (23) Na(+) ions and the solute 2-fluoroethylamine present in the aqueous domain of a Myverol/water bulk bicontinuous cubic phase (BCP) were measured using pulsed field-gradient spin echo (PGSE) NMR spectroscopy. ...The micro-vi …
The apparent diffusion coefficients of (23) Na(+) ions and the solute 2-fluoroethylamine present in the aqueous domain of a My …