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Picotube Tetraanion: A Novel Lithiated Tubular System
Author(s) -
Treitel Noach,
Deichmann Markus,
Sternfeld Tamar,
Sheradsky Tuvia,
Herges Rainer,
Rabinovitz Mordecai
Publication year - 2003
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.200390309
Subject(s) - lithium (medication) , carbon fibers , chemistry , conjugated system , density functional theory , crystallography , materials science , computational chemistry , organic chemistry , composite material , polymer , medicine , composite number , endocrinology
Significant charge alternation encircles the central carbon belt of a conjugated tubelike system, which forms a stable tetraanion upon reduction with lithium. Density functional theory calculations strongly suggest that the tube host two Li cations within its inner domain (Li purple). The dynamic topomerization barrier of the neutral compound is increased considerably in the tetraanion, which reduces the symmetry of the system.