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Refining the Interpretation of Near‐Infrared Band Shapes in a Polyynediyl Molecular Wire
Author(s) -
Parthey Matthias,
Gluyas Josef B. G.,
Schauer Phil A.,
Yufit Dmitry S.,
Howard Judith A. K.,
Kaupp Martin,
Low Paul J.
Publication year - 2013
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.201301747
Subject(s) - refining (metallurgy) , interpretation (philosophy) , infrared , materials science , optics , computer science , physics , metallurgy , programming language
Spinning to improve (band) shape : A blend of theoretical and experimental work demonstrates that the rotational conformation of mixed‐valence complexes influences the low‐energy (NIR) transitions in such molecules. Interpretations of the NIR band shapes are presented.