The Stability of the Pheromones of Xylophagous Insects
to Environmental Factors:
An Evaluation by Quantum Chemical Analysis
P. V. Artyushenkoa, *, F. N. Tomilinb, c, A. A. Kuzubovb, S. G. Ovchinnikovb, c, P. E. Tsikalovaa,
T. M. Ovchinnikovad, and V. G. Soukhovolskyd
Translated by G. Chirikova
aInternational Research Center for Studies of Extreme States of the Body, Krasnoyarsk Scientific Center, Siberian Branch, Russian Academy of Sciences, Krasnoyarsk, 660036 Russia
bSiberian Federal University, Krasnoyarsk, Krasnoyarsk, 660041 Russia
cKirensky Institute of Physics, Siberian Branch, Russian Academy of Sciences, Krasnoyarsk, 660036 Russia
dSukachev Institute of Forest, Siberian Branch, Russian Academy of Sciences,
Krasnoyarsk, 660036 Russia
Correspondence to: *e-mail: art_polly@mail.ru
Received 23 July, 2016
Abstract—The ground and excited states of the pheromone molecules produced by xylophagous insects (the bark beetle Ips typographus L., the black fir sawyer beetle Monochamus urussovi Fisch., and the black pine sawyer M. galloprovincialis Oliv.) were modeled using a quantum chemical method utilizing DFT (density functional theory) with the B3LYP functional. The absorption wavelengths (energies) and dipole moments were calculated; the transitions of electrons from occupied to empty molecular orbitals were considered. The computed data were used to assess the stability of pheromone molecules exposed to environmental factors, such as solar radiation and humidity.
Keywords: insects, xylophages, pheromones, molecules, chemical properties, environment, impact, information, research, effectiveness
DOI: 10.1134/S0006350917040029