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Mangan(II) ile 2-hydroxy-1,4-naphthoquinone Kompleksinin Hazırlanması, Infrard ve Raman Spektrumları Yardımıyla Moleküler Yapının Aydınlatılması ve Titreşim Bantlarının Teorik Olarak Hesaplaması

Year 2017, Volume: 7 Issue: 1, 145 - 153, 31.03.2017

Kani Arıcı Mehmet Fatih Kahraman

Abstract

2-hydroxy-1,4-naphthoquinone molekülü ile Mn(II) kompleksi ((2HNQ)2Mn) ilk kez hazırlandı. Hazırlanan bu kompleksin elemental analizleri yapıldı, infrared ve Raman spektrumları 4000-30 cm-1 aralığında kaydedildi ve yapısı hakkında tahminde bulunuldu. Yine Deneysel olarak gözlenen titreşim bantları ve şiddetleri, teorik olarak, HF metoduyla 6-31G(dp) temel fonksiyonu kullanılarak hesaplandı. Deneysel ve teorik olarak elde edilen değerler bire-bir karşılaştırıldı.

Keywords

Hf infrared raman 2-hydroxy-1 4-naphthoquinone

References

  • Ashwini VT, Rupali TD, Salunke-Gawali S, Linares J, Varret F, Marrot J, Yakima JV, Bhadbhade M, Srinivas D, Shridhar PG, Rane Y, 2006. SOM assembly of hydroxynaphthoquinone and its oxime: Polymorphic X-ray struc tures and EPR studies. Spectrochimica Acta, 63: 130–138.
  • Chabereck S, Martell AE, 1959. Organic Sequestering Agents, John Wiley and Sons, Inc., New York, USA. 325 p.
  • Dekkers J, Kooıjman H, Kroon J, Grech E, 1996. 2-hydroxy-1,4-naphthoquinone. Acta Crystallographica, 52: 2896-2899.
  • Ferraz PAL, Abreu FC, Pinto AB, Glezer V, Tonholo J, Goulart MOF, 2001. Antimicrobial activities of the henna extract and some synthetic naphthoquinones derivatives. Journal Electroanalytical Chemistry, 507: 275.
  • Frisch A, Frisch MJ, Clemente FR, Trucks GW, 2009. Gaussian09 User’s Reference, Gaussian Inc., 340 Quinnipiac St., Bldg. 40 Wallinford, CT 06492 USA.
  • Garge P, Chikate R, Padhye S, Savariault JM, de Loth P, Tuchangues JP, 1990. Iron(II) complexes of ortho functionalized para-naphtoquinones and molecular structure of bis(aqua)bis(lawsone)iron(II) and intermolecular magnetic exchange interactions in bis(3-aminolawsone)iron(II). Inorganic Chemistry, 29: 3315-3320.
  • Gaussian 09, Revision 2009. Gaussian, Inc., 40 Wallingford, CT 06492 USA.
  • González FJ, Aceves JM, Miranda R, González I, 9991. The electrochemical reduction of perezone in the presence of benzoic acid in aceto nitrile. Journal Electroanalytical Chemistry, 310: 293-303.
  • Johnson BG, Gill PM, Pople JA, 1993. The performance of a family of density functional methods. Jour-nal Chemical Physics, 98: 5612.
  • Khan MS, Khan ZH, 2005. Ab initio and semiempirical study of structure and electronic spectra of hy-droxy substituted naphthoquinones. Spectrochimica Acta, 61: 777–790.
  • Kindell AS, Dawood IJ, Aziz MR, 2013. Synthesis and Characterization of some Mixed Ligand Com-plexes Containing (8-hy droxyquinoline) and (2-picoline) with some Metal Ions. Journal Baghdad for Science, 10: 396-403.
  • Kral IK, Johnson DR, Kacker NR, 2005. Uncertainties in Scaling Factors for ab Initio Vibrational Fre-quencies. Journal of Physical Chemistry A, 37: 8430-8437.
  • Lee SY, Boo BH, 1996. Molecular structures and vibrational spectra of pyrrole and carbazole by density functional theory and conventional ab Initio calculations. Journal of Physical Chemistry, 100: 15073-15078.
  • Masuda K, Funayama S, Komiyama K, Umezawa I, Ito K, 1987. ITO, K. Constituents of Tritonia cro-cosmaeflora, I. Tricizarin A, a novel antimicrobial naphthazarin derivative. Journal of natural products, 50: 418-421.
  • Nonella M, 1996. Structures and harmonic force fields of 1,4-naphthoquinone and naphthalene: a density functional study. Journal of Molecular Structure (Theochem), 362: 7-21.
  • Papageorgiou VP, Assimopoulou AN, Couladouros EA, Hepworth D, Nicolaou KC, 1999. The chemistry and biology of alkannins, shikonins and related naphthazarin natural products. Angewdte Chemie International, 38: 270-300.
  • Salunke-Gawali S, Rane SY, Puranik VG, Guyard-Duhayon C, Varret F, 2004. Three dimensional hydro-gen-bonding network in a copper complex of 2-hydroxy-1,4-naphthoquinone: structural, spectro-scopic and magnetic properties. Polyhedron, 3: 2541–2547.
  • Tarek Ismail MA, 2005. Mononuclear and binuclear Co(II), Ni(II), Cu(II), Zn(II) and complexes of Schiff-base lands derived from 7-formyl-8-hydroxyquinoline and diaminonaphthalenes. Journal of Coordination Chemistry, 58: 141-151.
  • Thomson RH, 1971 Naturally Occurring Quinones. Academic Press, London, 732 p.

Preparation of Manganese (II) Complexed with 2-hydroxy-1,4- naphthoquinone, Identification of Molecular Structure with the Help the Infrared and Raman Spectra and Theoretical Calculations of Vibration Bands

Year 2017, Volume: 7 Issue: 1, 145 - 153, 31.03.2017

Kani Arıcı Mehmet Fatih Kahraman

Abstract

Manganese(II) complex of 2-hydroxy-1,4-naphthoquinone ((2HNQ)2Mn) (Mn: Manganese) have been prepared for the frst time, elemental analysis of this complex prepared was obtained, infrared and Raman spectra were recorded in 4000-30 cm-1 range and molecular structure were estimated. However, the experimentally observed vibrational bands and intensity was calculated at HF using the 6-31G (dp) basic function. The obtained experimental and theoretical values were compared one-to-one.


Keywords

Hf infrared raman 2-hydroxy-1 4-naphthoquinone

References

  • Ashwini VT, Rupali TD, Salunke-Gawali S, Linares J, Varret F, Marrot J, Yakima JV, Bhadbhade M, Srinivas D, Shridhar PG, Rane Y, 2006. SOM assembly of hydroxynaphthoquinone and its oxime: Polymorphic X-ray struc tures and EPR studies. Spectrochimica Acta, 63: 130–138.
  • Chabereck S, Martell AE, 1959. Organic Sequestering Agents, John Wiley and Sons, Inc., New York, USA. 325 p.
  • Dekkers J, Kooıjman H, Kroon J, Grech E, 1996. 2-hydroxy-1,4-naphthoquinone. Acta Crystallographica, 52: 2896-2899.
  • Ferraz PAL, Abreu FC, Pinto AB, Glezer V, Tonholo J, Goulart MOF, 2001. Antimicrobial activities of the henna extract and some synthetic naphthoquinones derivatives. Journal Electroanalytical Chemistry, 507: 275.
  • Frisch A, Frisch MJ, Clemente FR, Trucks GW, 2009. Gaussian09 User’s Reference, Gaussian Inc., 340 Quinnipiac St., Bldg. 40 Wallinford, CT 06492 USA.
  • Garge P, Chikate R, Padhye S, Savariault JM, de Loth P, Tuchangues JP, 1990. Iron(II) complexes of ortho functionalized para-naphtoquinones and molecular structure of bis(aqua)bis(lawsone)iron(II) and intermolecular magnetic exchange interactions in bis(3-aminolawsone)iron(II). Inorganic Chemistry, 29: 3315-3320.
  • Gaussian 09, Revision 2009. Gaussian, Inc., 40 Wallingford, CT 06492 USA.
  • González FJ, Aceves JM, Miranda R, González I, 9991. The electrochemical reduction of perezone in the presence of benzoic acid in aceto nitrile. Journal Electroanalytical Chemistry, 310: 293-303.
  • Johnson BG, Gill PM, Pople JA, 1993. The performance of a family of density functional methods. Jour-nal Chemical Physics, 98: 5612.
  • Khan MS, Khan ZH, 2005. Ab initio and semiempirical study of structure and electronic spectra of hy-droxy substituted naphthoquinones. Spectrochimica Acta, 61: 777–790.
  • Kindell AS, Dawood IJ, Aziz MR, 2013. Synthesis and Characterization of some Mixed Ligand Com-plexes Containing (8-hy droxyquinoline) and (2-picoline) with some Metal Ions. Journal Baghdad for Science, 10: 396-403.
  • Kral IK, Johnson DR, Kacker NR, 2005. Uncertainties in Scaling Factors for ab Initio Vibrational Fre-quencies. Journal of Physical Chemistry A, 37: 8430-8437.
  • Lee SY, Boo BH, 1996. Molecular structures and vibrational spectra of pyrrole and carbazole by density functional theory and conventional ab Initio calculations. Journal of Physical Chemistry, 100: 15073-15078.
  • Masuda K, Funayama S, Komiyama K, Umezawa I, Ito K, 1987. ITO, K. Constituents of Tritonia cro-cosmaeflora, I. Tricizarin A, a novel antimicrobial naphthazarin derivative. Journal of natural products, 50: 418-421.
  • Nonella M, 1996. Structures and harmonic force fields of 1,4-naphthoquinone and naphthalene: a density functional study. Journal of Molecular Structure (Theochem), 362: 7-21.
  • Papageorgiou VP, Assimopoulou AN, Couladouros EA, Hepworth D, Nicolaou KC, 1999. The chemistry and biology of alkannins, shikonins and related naphthazarin natural products. Angewdte Chemie International, 38: 270-300.
  • Salunke-Gawali S, Rane SY, Puranik VG, Guyard-Duhayon C, Varret F, 2004. Three dimensional hydro-gen-bonding network in a copper complex of 2-hydroxy-1,4-naphthoquinone: structural, spectro-scopic and magnetic properties. Polyhedron, 3: 2541–2547.
  • Tarek Ismail MA, 2005. Mononuclear and binuclear Co(II), Ni(II), Cu(II), Zn(II) and complexes of Schiff-base lands derived from 7-formyl-8-hydroxyquinoline and diaminonaphthalenes. Journal of Coordination Chemistry, 58: 141-151.
  • Thomson RH, 1971 Naturally Occurring Quinones. Academic Press, London, 732 p.
There are 19 citations in total.

Details

Primary Language English
Journal Section Fizik / Physics
Authors

Kani Arıcı

Mehmet Fatih Kahraman This is me

Publication Date March 31, 2017
Submission Date June 17, 2016
Acceptance Date August 23, 2016
Published in Issue Year 2017 Volume: 7 Issue: 1

Cite

APA Arıcı, K., & Kahraman, M. F. (2017). Preparation of Manganese (II) Complexed with 2-hydroxy-1,4- naphthoquinone, Identification of Molecular Structure with the Help the Infrared and Raman Spectra and Theoretical Calculations of Vibration Bands. Journal of the Institute of Science and Technology, 7(1), 145-153.
AMA Arıcı K, Kahraman MF. Preparation of Manganese (II) Complexed with 2-hydroxy-1,4- naphthoquinone, Identification of Molecular Structure with the Help the Infrared and Raman Spectra and Theoretical Calculations of Vibration Bands. J. Inst. Sci. and Tech. March 2017;7(1):145-153.
Chicago Arıcı, Kani, and Mehmet Fatih Kahraman. “Preparation of Manganese (II) Complexed With 2-Hydroxy-1,4- Naphthoquinone, Identification of Molecular Structure With the Help the Infrared and Raman Spectra and Theoretical Calculations of Vibration Bands”. Journal of the Institute of Science and Technology 7, no. 1 (March 2017): 145-53.
EndNote Arıcı K, Kahraman MF (March 1, 2017) Preparation of Manganese (II) Complexed with 2-hydroxy-1,4- naphthoquinone, Identification of Molecular Structure with the Help the Infrared and Raman Spectra and Theoretical Calculations of Vibration Bands. Journal of the Institute of Science and Technology 7 1 145–153.
IEEE K. Arıcı and M. F. Kahraman, “Preparation of Manganese (II) Complexed with 2-hydroxy-1,4- naphthoquinone, Identification of Molecular Structure with the Help the Infrared and Raman Spectra and Theoretical Calculations of Vibration Bands”, J. Inst. Sci. and Tech., vol. 7, no. 1, pp. 145–153, 2017.
ISNAD Arıcı, Kani - Kahraman, Mehmet Fatih. “Preparation of Manganese (II) Complexed With 2-Hydroxy-1,4- Naphthoquinone, Identification of Molecular Structure With the Help the Infrared and Raman Spectra and Theoretical Calculations of Vibration Bands”. Journal of the Institute of Science and Technology 7/1 (March 2017), 145-153.
JAMA Arıcı K, Kahraman MF. Preparation of Manganese (II) Complexed with 2-hydroxy-1,4- naphthoquinone, Identification of Molecular Structure with the Help the Infrared and Raman Spectra and Theoretical Calculations of Vibration Bands. J. Inst. Sci. and Tech. 2017;7:145–153.
MLA Arıcı, Kani and Mehmet Fatih Kahraman. “Preparation of Manganese (II) Complexed With 2-Hydroxy-1,4- Naphthoquinone, Identification of Molecular Structure With the Help the Infrared and Raman Spectra and Theoretical Calculations of Vibration Bands”. Journal of the Institute of Science and Technology, vol. 7, no. 1, 2017, pp. 145-53.
Vancouver Arıcı K, Kahraman MF. Preparation of Manganese (II) Complexed with 2-hydroxy-1,4- naphthoquinone, Identification of Molecular Structure with the Help the Infrared and Raman Spectra and Theoretical Calculations of Vibration Bands. J. Inst. Sci. and Tech. 2017;7(1):145-53.