Publication Type Journal Article
Title Pseudo-para-dinitro[2.2]paracyclophane radical anion, a mixed-valence system poised on the class II/class III borderline
Authors SF Nelsen AE Konradsson J. P. Telo
Groups
Journal JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
Year 2005
Month January
Volume 127
Number 3
Pages 920-925
Abstract Analysis of optical spectra of a pseudo-para-dinitro[2.2]paracyclophane radical anion using Marcus-Hush theory reveals that its off diagonal coupling element, H(ab), is large enough, relative to its reorganization energy, to change it from a localized class II compound to a delocalized class III compound by changing solvents. The optical spectra, along with frontier orbital analysis, show that the assumption that E(op) = 2H(ab) for class III compounds is not true in this case.
DOI http://dx.doi.org/10.1021/ja0441920
ISBN
Publisher AMER CHEMICAL SOC
Book Title
ISSN 0002-7863
EISSN
Conference Name
Bibtex ID ISI:000226463000033
Observations
Back to Publications List