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Experimental consideration of covalent‐bonding interactions in stacks of singlet biradicals having Kekulé structures
Author(s) -
Shimizu Akihiro,
Nakano Masayoshi,
Hirao Yasukazu,
Kubo Takashi
Publication year - 2011
Publication title -
journal of physical organic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.325
H-Index - 66
eISSN - 1099-1395
pISSN - 0894-3230
DOI - 10.1002/poc.1873
Subject(s) - chemistry , covalent bond , singlet state , stack (abstract data type) , molecule , solid state , chemical physics , computational chemistry , atomic physics , organic chemistry , excited state , physics , computer science , programming language
Kekulé singlet biradicals stabilized by phenalenyl rings afford one‐dimensional stacks in the solid state, in which covalent‐bonding interactions exist not only within a molecule but also between molecules. Through the covalent‐bonding interactions spreading over the stack, the lowest‐energy absorption band shifts to a lower‐energy region in the solid state relative to the solution band, and an electro‐conductive property in a single component state is also observed. Copyright © 2011 John Wiley & Sons, Ltd.