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Spectroscopic Characterization of Solvent‐Mediated Folding in Dicarboxylate Dianions
Author(s) -
Wende Torsten,
Wanko Marius,
Jiang Ling,
Meijer Gerard,
Asmis Knut R.,
Rubio Angel
Publication year - 2011
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/anie.201006485
Subject(s) - characterization (materials science) , solvent , folding (dsp implementation) , hydrogen bond , molecule , chemistry , spectroscopy , crystallography , content (measure theory) , excitation , carboxylate , displacement (psychology) , chemical physics , computational chemistry , stereochemistry , materials science , organic chemistry , nanotechnology , physics , psychology , mathematics , mathematical analysis , engineering , quantum mechanics , electrical engineering , psychotherapist
The relationship between conformational changes of suberate dianions in water clusters and the corresponding spectroscopic characteristics were studied theoretically and by IR spectroscopy (see picture for the charge displacement associated with the excitation of the carboxylate symmetric stretching modes). Folded structures are stabilized by the formation of additional hydrogen bonds between the solvated dianion and H 2 O molecules and should thus be retained in larger, microhydrated clusters.