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]2 2-, is described by B2LYP and CASSCF92,2)/MCQDPT calculations.
Type
text
citation_publisher
Royal Society of Chemistry
citation_journal_title
Physical Chemistry Chemical Physics
citation_volume
10
citation_issue
28
citation_firstpage
4106
Citation_lastpage
4109
citation_keywords
Carbon bonds; Cyanil
Subject (LCSH)
Dimers; Diamagnetism; Chemical bonds; Cyanides
citation_language
eng
Bibliographic Citation
Garcia-Yoldi, I., Miller, J. S., & Novoa, J. J. (2008). [Cyanil]2 2- dimers possess long, two-electron ten-center (2e-/10c) multicenter bonding. Physical Chemistry Chemical Physics, 10(28), 4106-9.
