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[Cyanil](2)(2-) dimers possess long, two-electron ten-center (2e(-)/10c) multicenter bonding
Iñigo Garcia-Yoldi1, Joel S Miller, Juan J Novoa
1Departament de Química Física & IQTCUB Facultat de Química, Universitat de Barcelona, Av. Diagona, l647, 08028, Barcelona, Spain.
Physical Chemistry Chemical Physics : PCCP
|July 10, 2008
Abstract:
A long, two-electron ten-center (2e(-)/10c) [8 carbon plus 2 oxygen] bond in diamagnetic dimers of radical-anion tetracyano-1,4-benzoquinoneide (cyanil, [Q] (-)), [Q](2)(2-), is described by B3LYP and CASSCF(2,2)/MCQDPT calculations.
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