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Year 2019, Volume: 2 Issue: 2, 43 - 47, 16.12.2019

Abstract

References

  • Haynes, p. 3.28
  • Haynes, p. 5.157
  • Jump up to:a b c d e f Seidell, Atherton; Linke, William F. (1919). Solubilities of Inorganic and Organic Compounds (2nd ed.). New York: D. Van Nostrand Company. p. 81.
  • Haynes, p. 6.116
  • Jump up to:a b c Anthracene in Linstrom, Peter J.; Mallard, William G. (eds.); NIST Chemistry WebBook, NIST Standard Reference Database Number 69, National Institute of Standards and Technology, Gaithersburg (MD), http://webbook.nist.gov(retrieved 2014-06-22)
  • Haynes, p. 5.157
  • Haynes, p. 3.579
  • Jump up to:a b "Properties of Anthracene". www.infotherm.com. Wiley Information Services GmbH. Archived from the original on 2014-11-01. Retrieved 2014-06-22.
  • Jump up to:a b c d Douglas, Bodie E.; Ho, Shih-Ming (2007). Structure and Chemistry of Crystalline Solids. New York: Springer Science+Business Media, Inc. p. 289. ISBN 978-0-387-26147-8.
  • Haynes, p. 5.41
  • Jump up to:a b c d e Sigma-Aldrich Co., Anthracene. Retrieved on 2014-06-22.
  • "MSDS of Anthracene". www.fishersci.ca. Fisher Scientific. Retrieved 2014-06-22.
  • Lindsey, Jonathan; et al. "Anthracene". PhotochemCAD. Retrieved 20 February 2014.
  • Rickborn, Bruce (1998). "The Retro-Diels-Alder Reaction Part I. C−C Dienophiles". Organic Reactions. pp. 1–393. doi:10.1002/0471264180.or052.01. ISBN 978-0471264187.
  • Bouas-Laurent, Henri; Desvergne, Jean-Pierre; Castellan, Alain; Lapouyade, Rene (2000). "Photodimerization of anthracenes in fluid solution: Structural aspects". Chemical Society Reviews. 29: 43–55. doi:10.1039/a801821i.
  • Charleton, Kimberly D. M.; Prokopchuk, Ernest M. (2011). "Coordination Complexes as Catalysts: The Oxidation of Anthracene by Hydrogen Peroxide in the Presence of VO(acac)2". Journal of Chemical Education. 88 (8): 1155–1157. Bibcode:2011JChEd..88.1155C. doi:10.1021/ed100843a.
  • Škalamera, Đani; Veljković, Jelena; Ptiček, Lucija; Sambol, Matija; Mlinarić-Majerski, Kata; Basarić, Nikola (2017). "Synthesis of asymmetrically disubstituted anthracenes". Tetrahedron. 73(40): 5892–5899. doi:10.1016/j.tet.2017.08.038.
  • Jump up to:a b Collin, Gerd; Höke, Hartmut and Talbiersky, Jörg (2006) "Anthracene" in Ullmann's Encyclopedia of Industrial Chemistry, Wiley-VCH, Weinheim. doi:10.1002/14356007.a02_343.pub2
  • Zeitler, Alex (2012-06-27) Conformal Coating 101: General Overview, Process Development, and Control Methods. BTW, Inc.
  • 1-Hydroxyanthracene. NIST datapage
  • 2-Hydroxyanthracene. NIST datapage

A Theoretical Study on Anthracene Molecule

Year 2019, Volume: 2 Issue: 2, 43 - 47, 16.12.2019

Abstract

Computational quantum theory methods especially Hartree-Fock (HF) and Density functional theory (DFT) plays an important role in physical chemistry and theoretical physics. Anthracene is an antihistamine and has medicinal value, that is why it is important to understanding its stability, reactivity and structure analysis. In this study, we optimize the energy band gaps using different basis sets for both DFT and HF methods. LanL2MB at DFT method was selected for the molecule. IR, NMR and UV were also investigated during the research.

References

  • Haynes, p. 3.28
  • Haynes, p. 5.157
  • Jump up to:a b c d e f Seidell, Atherton; Linke, William F. (1919). Solubilities of Inorganic and Organic Compounds (2nd ed.). New York: D. Van Nostrand Company. p. 81.
  • Haynes, p. 6.116
  • Jump up to:a b c Anthracene in Linstrom, Peter J.; Mallard, William G. (eds.); NIST Chemistry WebBook, NIST Standard Reference Database Number 69, National Institute of Standards and Technology, Gaithersburg (MD), http://webbook.nist.gov(retrieved 2014-06-22)
  • Haynes, p. 5.157
  • Haynes, p. 3.579
  • Jump up to:a b "Properties of Anthracene". www.infotherm.com. Wiley Information Services GmbH. Archived from the original on 2014-11-01. Retrieved 2014-06-22.
  • Jump up to:a b c d Douglas, Bodie E.; Ho, Shih-Ming (2007). Structure and Chemistry of Crystalline Solids. New York: Springer Science+Business Media, Inc. p. 289. ISBN 978-0-387-26147-8.
  • Haynes, p. 5.41
  • Jump up to:a b c d e Sigma-Aldrich Co., Anthracene. Retrieved on 2014-06-22.
  • "MSDS of Anthracene". www.fishersci.ca. Fisher Scientific. Retrieved 2014-06-22.
  • Lindsey, Jonathan; et al. "Anthracene". PhotochemCAD. Retrieved 20 February 2014.
  • Rickborn, Bruce (1998). "The Retro-Diels-Alder Reaction Part I. C−C Dienophiles". Organic Reactions. pp. 1–393. doi:10.1002/0471264180.or052.01. ISBN 978-0471264187.
  • Bouas-Laurent, Henri; Desvergne, Jean-Pierre; Castellan, Alain; Lapouyade, Rene (2000). "Photodimerization of anthracenes in fluid solution: Structural aspects". Chemical Society Reviews. 29: 43–55. doi:10.1039/a801821i.
  • Charleton, Kimberly D. M.; Prokopchuk, Ernest M. (2011). "Coordination Complexes as Catalysts: The Oxidation of Anthracene by Hydrogen Peroxide in the Presence of VO(acac)2". Journal of Chemical Education. 88 (8): 1155–1157. Bibcode:2011JChEd..88.1155C. doi:10.1021/ed100843a.
  • Škalamera, Đani; Veljković, Jelena; Ptiček, Lucija; Sambol, Matija; Mlinarić-Majerski, Kata; Basarić, Nikola (2017). "Synthesis of asymmetrically disubstituted anthracenes". Tetrahedron. 73(40): 5892–5899. doi:10.1016/j.tet.2017.08.038.
  • Jump up to:a b Collin, Gerd; Höke, Hartmut and Talbiersky, Jörg (2006) "Anthracene" in Ullmann's Encyclopedia of Industrial Chemistry, Wiley-VCH, Weinheim. doi:10.1002/14356007.a02_343.pub2
  • Zeitler, Alex (2012-06-27) Conformal Coating 101: General Overview, Process Development, and Control Methods. BTW, Inc.
  • 1-Hydroxyanthracene. NIST datapage
  • 2-Hydroxyanthracene. NIST datapage
There are 21 citations in total.

Details

Primary Language English
Subjects Metrology, Applied and Industrial Physics
Journal Section Articles
Authors

İbrahim Isah Nasidi 0000-0002-3983-4884

Publication Date December 16, 2019
Submission Date December 5, 2019
Acceptance Date December 10, 2019
Published in Issue Year 2019 Volume: 2 Issue: 2

Cite

APA Isah Nasidi, İ. (2019). A Theoretical Study on Anthracene Molecule. Journal of Physical Chemistry and Functional Materials, 2(2), 43-47.
AMA Isah Nasidi İ. A Theoretical Study on Anthracene Molecule. Journal of Physical Chemistry and Functional Materials. December 2019;2(2):43-47.
Chicago Isah Nasidi, İbrahim. “A Theoretical Study on Anthracene Molecule”. Journal of Physical Chemistry and Functional Materials 2, no. 2 (December 2019): 43-47.
EndNote Isah Nasidi İ (December 1, 2019) A Theoretical Study on Anthracene Molecule. Journal of Physical Chemistry and Functional Materials 2 2 43–47.
IEEE İ. Isah Nasidi, “A Theoretical Study on Anthracene Molecule”, Journal of Physical Chemistry and Functional Materials, vol. 2, no. 2, pp. 43–47, 2019.
ISNAD Isah Nasidi, İbrahim. “A Theoretical Study on Anthracene Molecule”. Journal of Physical Chemistry and Functional Materials 2/2 (December 2019), 43-47.
JAMA Isah Nasidi İ. A Theoretical Study on Anthracene Molecule. Journal of Physical Chemistry and Functional Materials. 2019;2:43–47.
MLA Isah Nasidi, İbrahim. “A Theoretical Study on Anthracene Molecule”. Journal of Physical Chemistry and Functional Materials, vol. 2, no. 2, 2019, pp. 43-47.
Vancouver Isah Nasidi İ. A Theoretical Study on Anthracene Molecule. Journal of Physical Chemistry and Functional Materials. 2019;2(2):43-7.