Vol. 14, issue 11, article # 11

pdf Nikolaev S. V. Quantum-chemical research into the photolysis of heptane molecule. // Atmospheric and oceanic optics. 2001. V. 14. No. 11. P. 954-956.
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The quantum-chemical study of the possibility of photobreak of С-С and С-H bonds in heptane is carried out. It is shown that the electronic excitation to the S1 state results in the strongest decrease of the two central C-C bonds and C-H bonds connected with them. Photodissociative states are found. The potential curves of excited states are obtained. It is established that the photobreak of the C-C and C-H bonds is possible through direct dissociation in a singlet electronic excited state.