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Title: On the HOMO-LUMO separation in the graph spectra of heterocyclobutadienes
Authors: Mishra, Bijay K
Varghese, (Miss) Suma C
Roy, (Miss) Rinku
Mishra, Rama K
Issue Date: Apr-1990
Publisher: NISCAIR-CSIR, India
Abstract: The characteristic polynomials of heterocyclobutadienes have been generated, and their graph spectra have been analysed. The molecular stability/reactivity and the electronic spectra have been discussed in the light of HOMO-LUMO separation in the graph spectrum. The presence of zero in the graph spectrum which leads to instability of the molecule has been reinvestigated. Triaza- and tetraza-cyclobutadienes having no zero in their graph spectra have been found to be more unstable than cyclobutadiene with two zeros in the corresponding graph spectrum.
Page(s): 370-372
ISSN: 0975-0975(Online); 0376-4710(Print)
Appears in Collections:IJC-A Vol.29A(04) [April 1990]

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