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On the Biradicaloid Nature of Long Quinoidal Oligothiophenes: Experimental Evidence Guided by Theoretical Studies
Author(s) -
Ponce Ortiz Rocío,
Casado Juan,
Hernández Víctor,
López Navarrete Juan T.,
Viruela Pedro M.,
Ortí Enrique,
Takimiya Kazuo,
Otsubo Tetsuo
Publication year - 2007
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.200703244
Subject(s) - singlet state , chemistry , raman spectroscopy , electronic structure , quantum chemistry , computational chemistry , series (stratigraphy) , spectroscopy , information retrieval , computer science , molecule , organic chemistry , physics , atomic physics , quantum mechanics , paleontology , supramolecular chemistry , biology , excited state
Raman spectroscopy in conjunction with quantum chemistry allows efficient inspection of the electronic and structural properties of biradicals. Investigations on a series of quinoidal oligothiophenes uncover a thermal equilibrium between singlet and triplet biradical states (see picture) for the longest of the investigated systems.