Study of lithium cation perturbation on the spin density distribution in sym-trinitrobenzene radical anion

Gupta, R. K. ; Subramanian, J. ; Ray, N. K. ; Narasimhan, P. T. (1968) Study of lithium cation perturbation on the spin density distribution in sym-trinitrobenzene radical anion Chemical Physics Letters, 2 (3). pp. 150-154. ISSN 0009-2614

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Official URL: http://linkinghub.elsevier.com/retrieve/pii/000926...

Related URL: http://dx.doi.org/10.1016/0009-2614(68)85028-6

Abstract

The effect of lithium cation association on the spin density distribution in sym-Trinitrobenzene radical anion has been studied here both experimentally and theoretically. The experimental observations can be satisfactorily explained by simple Huckel molecular orbital calculations only when the cation is assumed to be tightly bound to one of the nitro groups.

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