Analysis of vibrational, electronic and reactivity properties of adenine using spectroscopic and computational tools

D. Bakkiyaraj, S. Periandy, S. Xavier, Joazaizulfazli Jamalis

Research output: ResearchConference contribution

Abstract

The pharmaceutical important adenine was investigated theoretically and the data are compared with the experimental results. The geometrical and vibrational analyses were carried out on the confirmed stable structure of the compound. The chemical shift and electronic spectra of the title compound were carried out and compared with experimental data. The charge analysis, NBO, HOMO-LUMO, thermodynamic analysis and NLO properties were studied.

LanguageEnglish
Title of host publicationRecent Trends in Materials Science and Applications - Nanomaterials, Crystal Growth, Thin films, Quantum Dots, and Spectroscopy, Proceedings ICRTMSA 2016
PublisherSpringer Science and Business Media, LLC
Pages599-627
Number of pages29
Volume189
ISBN (Print)9783319448893
DOIs
StatePublished - 2017
EventInternational Conference on Recent Trends in Materials Science and Applications, ICRTMSA 2016 - Tiruchirappalli, India
Duration: 29 Feb 201629 Feb 2016

Other

OtherInternational Conference on Recent Trends in Materials Science and Applications, ICRTMSA 2016
CountryIndia
CityTiruchirappalli
Period29/2/1629/2/16

Fingerprint

adenines
electronic spectra
chemical equilibrium
reactivity
thermodynamics
electronics

ASJC Scopus subject areas

  • Physics and Astronomy(all)

Cite this

Bakkiyaraj, D., Periandy, S., Xavier, S., & Jamalis, J. (2017). Analysis of vibrational, electronic and reactivity properties of adenine using spectroscopic and computational tools. In Recent Trends in Materials Science and Applications - Nanomaterials, Crystal Growth, Thin films, Quantum Dots, and Spectroscopy, Proceedings ICRTMSA 2016 (Vol. 189, pp. 599-627). Springer Science and Business Media, LLC. DOI: 10.1007/978-3-319-44890-9_53

Analysis of vibrational, electronic and reactivity properties of adenine using spectroscopic and computational tools. / Bakkiyaraj, D.; Periandy, S.; Xavier, S.; Jamalis, Joazaizulfazli.

Recent Trends in Materials Science and Applications - Nanomaterials, Crystal Growth, Thin films, Quantum Dots, and Spectroscopy, Proceedings ICRTMSA 2016. Vol. 189 Springer Science and Business Media, LLC, 2017. p. 599-627.

Research output: ResearchConference contribution

Bakkiyaraj, D, Periandy, S, Xavier, S & Jamalis, J 2017, Analysis of vibrational, electronic and reactivity properties of adenine using spectroscopic and computational tools. in Recent Trends in Materials Science and Applications - Nanomaterials, Crystal Growth, Thin films, Quantum Dots, and Spectroscopy, Proceedings ICRTMSA 2016. vol. 189, Springer Science and Business Media, LLC, pp. 599-627, International Conference on Recent Trends in Materials Science and Applications, ICRTMSA 2016, Tiruchirappalli, India, 29/2/16. DOI: 10.1007/978-3-319-44890-9_53
Bakkiyaraj D, Periandy S, Xavier S, Jamalis J. Analysis of vibrational, electronic and reactivity properties of adenine using spectroscopic and computational tools. In Recent Trends in Materials Science and Applications - Nanomaterials, Crystal Growth, Thin films, Quantum Dots, and Spectroscopy, Proceedings ICRTMSA 2016. Vol. 189. Springer Science and Business Media, LLC. 2017. p. 599-627. Available from, DOI: 10.1007/978-3-319-44890-9_53
Bakkiyaraj, D. ; Periandy, S. ; Xavier, S. ; Jamalis, Joazaizulfazli. / Analysis of vibrational, electronic and reactivity properties of adenine using spectroscopic and computational tools. Recent Trends in Materials Science and Applications - Nanomaterials, Crystal Growth, Thin films, Quantum Dots, and Spectroscopy, Proceedings ICRTMSA 2016. Vol. 189 Springer Science and Business Media, LLC, 2017. pp. 599-627
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