Probing the electronic structure of the 1,3,5-trithia-2,4,6-triazapentalenyl radical

Authors
McManus, GD Rawson, JM McInnes, EJL Novoa, J
Citation
Gd. Mcmanus et al., Probing the electronic structure of the 1,3,5-trithia-2,4,6-triazapentalenyl radical, PHOSPHOR SU, 168, 2001, pp. 469-472
Citations number
4
Categorie Soggetti
Inorganic & Nuclear Chemistry
Journal title
PHOSPHORUS SULFUR AND SILICON AND THE RELATED ELEMENTS
ISSN journal
10426507 → ACNP
Volume
168
Year of publication
2001
Pages
469 - 472
Database
ISI
SICI code
1042-6507(2001)168:<469:PTESOT>2.0.ZU;2-2
Abstract
The electronic structure of the 1,3,5-trithia-2,4,6-triazapentalenyl radica l 1 was probed by means of EPR spectroscopy and DFT calculations. The unpai red spin density is delocalised asymmetrically over the entire molecule wit h 84% based on the SNS fragment and 22% on the NSN fragment.