Refining the Interpretation of Near-infrared Band Shapes in a Polyynediyl Molecular Wire

Overview

Journal Chemistry

Specialty Chemistry

Date 2013 Jul 16

PMID 23852956

Citations 5

Authors

Matthias Parthey

Josef B G Gluyas

Phil A Schauer

Dmitry S Yufit

Judith A K Howard

Martin Kaupp

Paul J Low

Affiliations

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Abstract

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.

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