Quantum chemical study on Acridine Orange dye structural transformations under laser desorption/ionization on the surface of thermoexfoliated graphite

Authors

  • E. M. Demianenko Chuiko Institute of Surface Chemistry of National Academy of Sciences of Ukraine
  • A. G. Grebenyuk Chuiko Institute of Surface Chemistry of National Academy of Sciences of Ukraine
  • V. V. Lobanov Chuiko Institute of Surface Chemistry of National Academy of Sciences of Ukraine
  • V. O. Gabovich Chuiko Institute of Surface Chemistry of National Academy of Sciences of Ukraine
  • V. O. Pokrovskiy Chuiko Institute of Surface Chemistry of National Academy of Sciences of Ukraine

Keywords:

acridine orange, thermoexfoliated graphite, laser desorption/ionization, density functional theory

Abstract

Density functional theory method with functional B3LYP and 6-31G (d,p) basis set has been used to examine the possible structures of acridine orange fragments resulting from laser irradiation of dye adsorbed on the surface of thermoexfoliated graphite under mass spectrometric experiment. The structures and thermodynamic parameters of these fragments have been found as well as the order of their formation.

References

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How to Cite

(1)
Demianenko, E. M.; Grebenyuk, A. G.; Lobanov, V. V.; Gabovich, V. O.; Pokrovskiy, V. O. Quantum Chemical Study on Acridine Orange Dye Structural Transformations under Laser Desorption Ionization on the Surface of Thermoexfoliated Graphite. Him. Fiz. Tehnol. Poverhni 2014, 5, 284-290.

Issue

Vol. 5 No. 3 (2014): Chemistry, Physics and Technology of Surface / Himia, Fizika ta Tehnologia Poverhni

Section

Articles

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