499793-89-4Relevant academic research and scientific papers
Design and preparation of pyrrole-based spin-polarized donors
Nakazaki, Jotaro,Chung, InGwon,Matsushita, Michio M.,Sugawara, Tadashi,Watanabe, Ryoji,Izuoka, Akira,Kawada, Yuzo
, p. 1011 - 1022 (2003)
As a fundamental building block of a conductive magnetic macromolecule, a series of pyrrole derivatives carrying a nitronyl nitroxide (NN) group was prepared. Some of these derivatives afforded ground-state triplet diradical cations upon one-electron oxid
Synthesis and spectroscopic characterization on 4-(2,5-di-2-thienyl-1H-pyrrol-1-yl) benzoic acid: A DFT approach
Kurt,Sas, E. Babur,Can,Okur,Icli,Demic,Karabacak,Jayavarthanan,Sundaraganesan
, p. 8 - 17 (2015/07/28)
Abstract A complete structural and vibrational analysis of the 4-(2,5-di-2-thienyl-1H-pyrrol-1-yl) benzoic acid (TPBA), was carried out by ab initio calculations, at the density functional theory (DFT) method. Molecular geometry, vibrational wavenumbers a
Facile formation of stable crystals with gold-like metallic luster from organic molecules: 1-Aryl-2-(2-thienyl)-5-[5-(tricyanoethenyl)-2-thienyl]pyrroles
Ogura, Katsuyuki,Zhao, Rui,Yanai, Hiroyuki,Maeda, Kazuhiro,Tozawa, Ryo,Matsumoto, Shoji,Akazome, Motohiro
, p. 2359 - 2370 (2007/10/03)
The derivatives of 1-phenyl-2-(2-thienyl)-5-[5-(tricyanoethenyl)-2-thienyl]pyrrole (1a) formed crystals with gold-like or bronze-like metallic luster. When a small substituent is located at the para position of the 1-phenyl group, gold-like lustrous crystals were formed. In contrast, the derivatives of 1 having a longer alkyl chain at the para position of the 1-phenyl group gave bronze-like crystals. The gold-like lustrous crystals have a sheet structure. In the sheet, the molecules of 1 are close to each other via the intermolecular interaction of cyano nitrogen with the hydrogen of the nearest thiophene or pyrrole ring, which enables the side-by-side interaction of the cyano group with the nearest thiophene and pyrrole rings. The bronze-like crystals have a lamella structure of the long alkyl chains that is sandwiched by two π-electron walls. In the wall, the 2-(2-thienyl)-5-[5-(tricyanoethenyl)-2-thienyl]pyrrole moieties are arranged in a ribbon structure to interact to each other. The relationship of the arrangement of the 2-(2-thienyl)-5-[5-(tricyanoethenyl)-2-thienyl]pyrrole moieties with the metallic color of the crystals is discussed.
