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The Phenalenyl Motif: A Magnetic Chameleon
Author(s) -
Cyrański Michał K.,
Havenith Remco W. A.,
Dobrowolski Michał A.,
Gray Benjamin R.,
Krygowski Tadeusz M.,
Fowler Patrick W.,
Jenneskens Leonardus W.
Publication year - 2007
Publication title -
chemistry – a european journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.687
H-Index - 242
eISSN - 1521-3765
pISSN - 0947-6539
DOI - 10.1002/chem.200601619
Subject(s) - antiaromaticity , nitrogen atom , chemistry , boron , ion , nitrogen , atom (system on chip) , ring (chemistry) , boron trichloride , chemical physics , computational chemistry , stereochemistry , aromaticity , organic chemistry , molecule , engineering , embedded system
The 12π cation ( 3 ) and 14π anion ( 4 ) derived from the phenalenyl radical ( 2 ) support diatropic (“aromatic”) perimeter ring currents, but isoelectronic replacement of the central atom by either boron ( 5 ) or nitrogen ( 6 ) leads to paratropic (“antiaromatic”) current; the ipsocentric approach to molecular magnetic response accounts for all four patterns in terms of competition between translationally and rotationally allowed virtual π–π* excitations.