A multiconfigurational study of anion-radical and dianion of 1,3-dinitrobenzene

Journal of Molecular Structure: THEOCHEM

Volumn 847, Issue 1-3, 2007, Pages 103-106

  Mikhailov, M N ^a   Mendkovich, A S ^a   Kuzminsky, M B ^a   Rusakov, A I ^b  

^a N D ZELINSKY INSTITUTE OF ORGANIC CHEMISTRY   (Russian Federation)

^b YAROSLAVL STATE UNIVERSITY   (Russian Federation)

Author keywords

1,3 Dinitrobenzene; Anion radical; CASSCF; Dianion; Intramolecular electron transfer; MRMP2

Indexed keywords

EID: 36048936361     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2007.09.006     Document Type: Article

References (22)

1. Rusakov A.I., Mendkovich A.S., Gul'tyai V.P., and Orlov V.Y. Struktura i reaktsionnaya sposobnost' organicheskikh anion radikalov [Structure and Reactivity of Organic Anion Radicals] (2005), Mir, Moscow (in Russian)
2. Dimitrova Y. J. Mol. Struct. (Theochem.) 362 (1996) 23
3. Vysotsky V.P., Salnikov G.E., and Shchegoleva L.N. Int. J. Quant. Chem. 100 (2004) 469
4. Barlukova M.M., Beregovaya I.V., Vysotsky V.P., Shchegoleva L.N., Bagryansky V.A., and Molin Y.N. J. Phys. Chem. A 109 (2005) 4404
5. Tachikawa H., and Iyama T. Phys. Chem. Chem. Phys. 4 (2002) 5806
6. Gallardo I., Guirado G., Marquet J., and Moreno M. ChemPhysChem 12 (2001) 754
7. Nelsen S.F., Weaver M.N., Konradsson A.E., Telo J.P., and Clark T. J. Am. Chem. Soc. 126 (2004) 15431
8. Telo J.P., Shohoji C.M., and Candida M.B.L. J. Chem. Soc. Perkin Trans. 2: Phys. Org. Chem. 3 (1998) 711
9. Barrows S.E., Cramer C.J., Truhlar D.G., Elovitz M.S., and Weber E.J. Environ. Sci. Technol. 30 (1996) 3028
10. Mendkovich A.S., Michalchenko L.V., and Gultyai V.P. J. Electroanal. Chem. 224 (1987) 273
11. Mendkovich A.S., and Rusakov A.I. J. Electroanal. Chem. 209 (1986) 43
12. Gultyai V.P., and Mendkovich A.S. J. Electroanal. Chem. 145 (1983) 201
13. Mendkovich A.S., and Gultyai V.P. J. Electroanal. Chem. 169 (1984) 1
14. Petrov E.S., Terekhova M.I., and Shatenshtein A.I. Russ. Chem. Rev. 42 (1973) 713
15. Roos B.O., Taylor P.R., and Siegbahn P.E.M. Chem. Phys. 48 (1980) 157
16. Nakano H. J. Chem. Phys. 99 (1993) 7983
17. Schmidt M.W., Baldridge K.K., Boatz J.A., Elbert S.T., Gordon M.S., Jensen J.H., Koseki S., Matsunaga N., Nguyen K.A., Su S.J., Windus T.L., Dupuis M., and Montgomery J.A. J. Comput. Chem. 14 (1993) 1347
18. A.A. Granovsky, PC GAMESS version 7.0, http://classic.chem.msu.su/gran/gamess/index.html.
19. Marcus R.A. Ann. Rev. Phys. Chem. 15 (1964) 155
20. Murrel J.N. J. Am. Chem. Soc. 81 (1959) 5037
21. Barbara P.F., Meyer T.J., and Ratner M.A. J. Phys. Chem. 100 (1996) 13148
22. Gallardo I., Guirado G., Marquet J., and Vila N. Angew. Chem. Int. Ed. 46 (2007) 1321