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Back Cover: Effects of Aromatic Fluorine Substitution on Protonated Neurotransmitters: The Case of 2‐Phenylethylamine (Chem. Eur. J. 24/2016)
Author(s) -
Schütz Markus,
Bouchet Aude,
Chiavarino Barbara,
Crestoni Maria Elisa,
Fornarini Simonetta,
Dopfer Otto
Publication year - 2016
Publication title -
chemistry – a european journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.687
H-Index - 242
eISSN - 1521-3765
pISSN - 0947-6539
DOI - 10.1002/chem.201601652
Subject(s) - protonation , chemistry , non covalent interactions , fluorine , intramolecular force , courtesy , computational chemistry , medicinal chemistry , ion , stereochemistry , organic chemistry , molecule , hydrogen bond , political science , law
Fluorination of pharmaceutical compounds is a common tool to modulate their physiochemical properties. The large effects of site‐specific aromatic fluorination of a protonated prototypical neurotransmitter (2‐phenylethylamine) have accurately been determined by infrared spectroscopy and dispersion‐corrected density functional theory calculations of ions isolated in the gas phase. The strengths of the various competing intramolecular noncovalent interactions (NH + ⋅⋅⋅π, NH + ⋅⋅⋅F) depend strongly on the fluorination site. Inset image of neurons courtesy of the National Institutes on Ageing/National Institutes of Health. More information can be found in the Full Paper by O. Dopfer et al. on page 8124 ff.