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First O−H−N Hydrogen Bond with a Centered Proton Obtained by Thermally Induced Proton Migration
Author(s) -
Steiner Thomas,
Majerz Irena,
Wilson Chick C.
Publication year - 2001
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/1521-3773(20010716)40:14<2651::aid-anie2651>3.0.co;2-2
Subject(s) - adduct , proton , hydrogen bond , neutron diffraction , chemistry , crystallography , hydrogen atom , atom (system on chip) , hydrogen , pentachlorophenol , atmospheric temperature range , crystal structure , molecule , organic chemistry , physics , thermodynamics , quantum mechanics , alkyl , computer science , embedded system
Within a range of 0.1 Å , the H atom in the O−H−N hydrogen bond of the adduct 4‐methylpyridine⋅pentachlorophenol could be shifted by a simple adjustment of temperature (see scheme). At approximately 90 K the H atom is exactly centered between the O and the N atoms, as could be shown by stepwise monitoring by using variable‐temperature single‐crystal neutron diffraction.