Yıl: 2016 Cilt: 17 Sayı: 4 Sayfa Aralığı: 641 - 659 Metin Dili: İngilizce İndeks Tarihi: 29-07-2022

THE INVESTIGATION OF SPECTROSCOPIC AND THEORETICAL METHODS OF BISISOXAOLINE DERIVATIVE OF NORBORNADIEN

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  • Padwa A. 1,3-Dipolar Cycloaddition Chemistry II. 3rd. Ed. New York, NY, USA: Wiley Press, 1984. b) Padwa A. Synthetic Application of 1,3-dipolar Cycloaddition Chemistry Toward Heterocycles and Natural Products. 3rd. Ed. New York NY, USA: Wiley Press, 2001.
  • Kaur K, Kumar V, Sharma AK, Gupta GK. Isoxazoline containing natural products as anticancer agents: A Review. Eur J Med Chem. 2014; 77:121-33. b)Pekka KP, Tuomas O, Mikael P, Jorma JP, Janne AI, Reino L, Juha TP. Design, Synthesis, and Biological Evaluation of Nonsteroidal Cycloalkane[d]isoxazole-Containing Androgen Receptor Modulators. J. Med Chem 2012; 55 (14): 6316-6327.
  • Bolvig T, Larsson OM, Pickering DS, Nelson N, Falch E, Krogsgaard-Larsen P, Schousboe A. Action of bicyclic isoxazole GABA analogues on GABA transporters and its relation to anticonvulsant activity. Eur J Pharmacol. 1999; 375(1-3):367-74.
  • Tangallapally RP, Yendapally R, Daniels AJ, Lee REB, Lee RE. Nitrofurans as Novel Anti- tuberculosis Agents: Identification, Development and Evaluation. Curr Top Med Chem 2007; 7:509-
  • Rakesh DS, Lee RB, Tangallapally RP, Lee RE.Synthesis, optimization and structure-activity relationships of 3,5-disubstituted isoxazolines as new anti-tuberculosis agents. Eur J Med Chem 2009; :460-472.
  • Werner A. Über die Raumliche Anordnung der Atome in Stick Stoff Haltisen Molekülen. Berichte ; 23:11-30.
  • Tranmer GK, MolybdenumWT. Mediated Cleavage Reactions of Isoxazoline Rings Fused in Bicyclic Frameworks. Org. Lett 2002; 4 (23): 4101-4104 b)Murphy JJ, Hamilton JG, Paton R M.Synthesis and ring opening metathesis polymerisation of isoxazolino and isoxazolidino-norbornenes. Polymer 2006; 47 (10): 3292-3297.
  • Eryılmaz S, Gül M, İnkaya E, İdil Ö, Özdemir Namık. Synthesis, Crystal Structure Analysis, Spectral Characterization, Quantum Chemical Calculations, Antioxidant and Antimicrobial Activity of 3-(4- chlorophenyl)-3a,4,7,7a-tetrahydro-4,7-methanobenzo[d]isoxazole. J Mol Struct 2016; 1122: 219-233.
  • Stoe&Cie, X-AREA (Version 1.18), Stoe&Cie GmbH, Darmstadt, Germany, 2002.
  • Sheldrick GM. SHELXS-97. Program for the Solution of Crystal Structures. University of Gottingen. 1997.
  • Farrugia LJ. J Appl Crystallogr 1999; 30: 837-838.
  • Sheldrick GM. Acta Crystallogr 2015; C71: 3-8.
  • Stoe&Cie, X-RED (Version 1.04), Stoe&Cie GmbH, Darmstadt, Germany, 2002.
  • Spek AL. Acta Crystallogr D 2009; 65: 148-155.
  • Gaussian 09, Revision E.01, Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Scalmani, G.; Barone, V.; Mennucci, B.; Petersson, G. A.; Nakatsuji, H.; Caricato, M.; Li, X.; Hratchian, H. P.; Izmaylov, A. F.; Bloino, J.; Zheng, G.; Sonnenberg, J. L.; Hada, M.; Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Vreven, T.; Montgomery, J. A., Jr.; Peralta, J. E.; Ogliaro, F.; Bearpark, M.; Heyd, J. J.; Brothers, E.; Kudin, K. N.; Staroverov, V. N.; Kobayashi, R.; Normand, J.; Raghavachari, K.; Rendell, A.; Burant, J. C.; Iyengar, S. S.; Tomasi, J.; Cossi, M.; Rega, N.; Millam, J. M.; Klene, M.; Knox, J. E.; Cross, J. B.; Bakken, V.; Adamo, C.; Jaramillo, J.; Gomperts, R.; Stratmann, R. E.; Yazyev, O.; Austin, A. J.; Cammi, R.; Pomelli, C.; Ochterski, J. W.; Martin, R. L.; Morokuma, K.; Zakrzewski, V. G.; Voth, G. A.; Salvador, P.; Dannenberg, J. J.; Dapprich, S.; Daniels, A. D.; Farkas, Ö.; Foresman, J. B.; Ortiz, J. V.; Cioslowski, J.; Fox, D. J. Gaussian, Inc., Wallingford CT, 2009.
  • GaussView, Version 5, Dennington, Roy; Keith, Todd; Millam, John. Semichem Inc., Shawnee Mission, KS, 2009.
  • a)Becke AD.Density-functional exchange-energy approximation with correct asymptotic behavior. J Chem Phys 1988; 38: 3098-3100. b)Becke AD.Density-Functional Thermochemistry. I. The Effect of the Exchange-Only Gradient Correction. J Chem Phys1992; 96: 2155-2160. c)Becke AD.Density functional thermochemistry III. The role of exact exchange. J Chem Phys1993; 98: 5648-5652.
  • Ditchfield R,Hehre WJ, Pople JA.Self-Consistent Molecular-Orbital Methods. IX. An Extended Gaussian-Type Basis for Molecular-Orbital Studies of Organic Molecules J Chem Phys1971; 54: 724- 728.
  • Lee C, Yang CW, Parr R.Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density. Phys Rev1988; 37: 785-789.
  • Merrick JP, Moran D, Radom L. An Evaluation of Harmonic Vibrational Frequency Scale Factors. J Phys Chem A 2007; 111: 11683-11700.
  • a)London F.Théorie quantique des courants interatomiques dans les combinaisons aromatiques. J Phys Radium 1937; 8: 397-409. b)McWeeny R. Perturbation Theory for the Fock-Dirac Density Matrix Phys Rev 1962; 126: 1028. c)Ditchfield R. Self-consistent perturbation theory of diamagnetism.Mol Phys 1974; 27: 789-807. d)Wolinski K, Hilton JF, Pulay P. Efficient implementation of the gauge-independent atomic orbital method for NMR chemical shift calculations. J Am Chem Soc 1990; 112: 8251-8260. e)Cheeseman JR, Trucks GW, Keith TA, Frisch MJ. A comparison of models for calculating nuclear magnetic resonance shielding tensors. J Chem Phys 1996; 104: 5497-5509.
  • Barone V, Cossi M. Quantum calculation of molecular energies and energy gradients in solution by a conductor solvent model. J Phys Chem A 1998; 102: 1995-2001.
  • Jin YX, Zhong AG, Ge CH, Pan FY, Yang JG, Wu Y, Xie M, Feng HW. A novel difunctional acylhydrazone with isoxazole and furan heterocycles: Syntheses, structure, spectroscopic properties, antibacterial activities and theoret ical studies of (E)-N0 -(furan-2-ylmethylene)-5-methylisoxazole-4- carbohydrazide. J Mol Struct 2012; 1010: 190-196.
  • Tamer Ö, Avcı BS, Avcı D, Nebioglu M, Atalay Y, Çoşut B.Synthesis, molecular structure, spectral analysis and nonlinear optical studies on 4-(4-bromophenyl)-1-tert-butyl-3-methyl-1H-pyrazol-5- amine: A combined experimental and DFT approach.J Mol Struct 2016; 1106: 89-97.
  • Dege N, Senyüz N, Batı H, Günay N, Avcı D, Tamer O, Atalay Y. The synthesis, characterization and theoretical study on nicotinic acid [1-(2,3-dihydroxyphenyl)methylidene]hydrazide. Spectrochim Acta A 2014; 120: 323-331.
  • Eryılmaz S, Gül M, İnkaya E, Taş M. Isoxazole Derivatives of Alpha-pinene Isomers: Synthesis, Crystal Structure, Spectroscopic Characterization (FT-IR/NMR/GC-MS) and DFT Studies. J Mol Struct 2016; 1108: 209-222.
  • Mohan J. Organic Spectroscopy:Principles and Applications. 2nd Ed. Harrow, UK: Alpha Science, 2004.
  • Erdik E. Organik Kimyada Spektroskopik Yöntemler. 5. Baskı. Ankara, Türkiye: Gazi Kitabevi, 2008.
  • Stuart BH. Infrared Spectroscopy: Fundamentals and Applications. 1st Ed. Chichester, England:Wiley 2004.
  • Zhang XH, Zhan YH, Chen D, Wang F, Wang LY. Merocyanine dyes containing an isoxazolone nucleus: Synthesis, X-ray crystal structures, spectroscopic properties and DFT studies. Dyes and Pigm 2012; 93: 1408-1415.
  • Jin RY, Sun X H, Liu YF, Long W, Chen B, Shen SQ, Ma HX. Synthesis, crystal structure, biological activity and theoretical calculations of novel isoxazole derivatives. Spectrochim Acta A 2016; 152: 226-232.
  • Kalinowski HO, Berger S, Braun S. Carbon-13 NMR Spectroscopy. 1st ed. Chichester, UK John Wiley&Sons, 1988.
  • Pihlaja K, Kleinpeter E. Carbon-13 Chemical Shifts in Structural and Stereochemical Analysis. 1st ed. USA: Wiley-VCH Publishers, 1994.
  • Balcı M. Nükleer Manyetik Rezonans Spektroskopisi. 2. Baskı. Ankara, Türkiye:ODTÜ Yayıncılık, 2004.
  • İnkaya E, Günnaz S, Özdemir N, Dayan O, Dinçer M, Çetinkaya B. Synthesis, spectroscopic characterization, X-ray structure and DFT studies on 2,6-bis(1-benzyl-1H-benzo[d]imidazol-2- yl)pyridine. Spectr Acta Part A 2013; 103: 255-263.
  • İnkaya E, Dinçer M, Ekici Ö, Çukurovalı A. N?-(2-methoxy-benzylidene)-N-[4-(3-methyl-3- phenyl-cyclobutyl)-thiazol-2-yl]-chloro-acetic hydrazide: X-ray structure, spectroscopic characterization and DFT studies. J Mol Struct 2012; 1026:117-126.
  • Fleming I. Frontier Orbitals and Organic Chemical Reactions. London, UK:Wiley, 1976.
  • Tarı GÖ, Gümüş S, Ağar E. Crystal structure, spectroscopic studies and quantum mechanical calculations of 2-[((3-iodo-4-methyl)phenylimino)methyl]-5-nitro thiophene. Spectromica Acta Part A 2015; 141: 119-127.
  • Vijayaraj R,Subramanian V, Chattaraj PK. Comparison of Global Reactivity Descriptors Calculated Using Various Density Functionals: A QSAR Perspective. J Chem Theory Comput 2009; 5(10): 2744-2753.
  • Padmanabhan J, Parthasarathi R, Elango M, Subramanian V, Krishnamoorthy BS, GutierrezOliva S, Toro-Labbe A, Roy D R, Chattaraj PK. Multiphilic Descriptor for Chemical Reactivity and Selectivity. J. Phys. Chem. A 2007; 111: 9130-9138. [41]a)Koopmans T. Physica 1. 1933; 104. b)Vektariene A, Vektaris G. J Svoboda.A theoretical approach to the nucleophilic behavior of benzofused thieno[3,2-b]furans using DFT and HF based reactivity descriptors. ARKIVOC 2009; vii: 311-329.
  • Mulliken RS. J Chem Phys 1934; 2: 782.
  • a)Pearson RG.Hard and Soft Acids and Bases. J Am Chem Soc1963; 85:3533-3539 b)Pearson RG. Hard and soft acids and bases, HSAB, part 1: Fundamental principles. J Chem Educ1968;45(9): 581. c)Pearson RG. Maximum Chemical and Physical Hardness. J Chem Educ1999;2 (76): 267.
  • Pearson RG. Absolute electronegativity and hardness correlated with molecular orbital theory. Pro Nat Acad Scie 1986; 83: 8440-8441.
  • Parr RG, Pearson RG. Absolute hardness: companion parameter to absolute electronegativity. J Am Chem Soc 1983;105: 7512-7516.
  • Chattaraj PK, Sarkar U, Roy DR. Electrophilicity index. Chem Rev 2006; 106: 2065-2091.
  • İnkaya E, Dinçer M, Ekici Ö, Çukurovalı A. 1-(3-Methyl-3-mesityl)-cyclobutyl-2-(5-pyridin-4-yl- 2H-[1,2,4]triazol-3-ylsulfanyl)-ethanone: X-ray structure, spectroscopic characterization and DFT studies. Spect Acta Part A 2013; 101: 218-227.
APA MESCİ K, ERYILMAZ S, GÜL M, İNKAYA E (2016). THE INVESTIGATION OF SPECTROSCOPIC AND THEORETICAL METHODS OF BISISOXAOLINE DERIVATIVE OF NORBORNADIEN. , 641 - 659.
Chicago MESCİ Kerem,ERYILMAZ Serpil,GÜL Melek,İNKAYA Ersin THE INVESTIGATION OF SPECTROSCOPIC AND THEORETICAL METHODS OF BISISOXAOLINE DERIVATIVE OF NORBORNADIEN. (2016): 641 - 659.
MLA MESCİ Kerem,ERYILMAZ Serpil,GÜL Melek,İNKAYA Ersin THE INVESTIGATION OF SPECTROSCOPIC AND THEORETICAL METHODS OF BISISOXAOLINE DERIVATIVE OF NORBORNADIEN. , 2016, ss.641 - 659.
AMA MESCİ K,ERYILMAZ S,GÜL M,İNKAYA E THE INVESTIGATION OF SPECTROSCOPIC AND THEORETICAL METHODS OF BISISOXAOLINE DERIVATIVE OF NORBORNADIEN. . 2016; 641 - 659.
Vancouver MESCİ K,ERYILMAZ S,GÜL M,İNKAYA E THE INVESTIGATION OF SPECTROSCOPIC AND THEORETICAL METHODS OF BISISOXAOLINE DERIVATIVE OF NORBORNADIEN. . 2016; 641 - 659.
IEEE MESCİ K,ERYILMAZ S,GÜL M,İNKAYA E "THE INVESTIGATION OF SPECTROSCOPIC AND THEORETICAL METHODS OF BISISOXAOLINE DERIVATIVE OF NORBORNADIEN." , ss.641 - 659, 2016.
ISNAD MESCİ, Kerem vd. "THE INVESTIGATION OF SPECTROSCOPIC AND THEORETICAL METHODS OF BISISOXAOLINE DERIVATIVE OF NORBORNADIEN". (2016), 641-659.
APA MESCİ K, ERYILMAZ S, GÜL M, İNKAYA E (2016). THE INVESTIGATION OF SPECTROSCOPIC AND THEORETICAL METHODS OF BISISOXAOLINE DERIVATIVE OF NORBORNADIEN. Anadolu Üniversitesi Bilim ve Teknoloji Dergisi :A-Uygulamalı Bilimler ve Mühendislik, 17(4), 641 - 659.
Chicago MESCİ Kerem,ERYILMAZ Serpil,GÜL Melek,İNKAYA Ersin THE INVESTIGATION OF SPECTROSCOPIC AND THEORETICAL METHODS OF BISISOXAOLINE DERIVATIVE OF NORBORNADIEN. Anadolu Üniversitesi Bilim ve Teknoloji Dergisi :A-Uygulamalı Bilimler ve Mühendislik 17, no.4 (2016): 641 - 659.
MLA MESCİ Kerem,ERYILMAZ Serpil,GÜL Melek,İNKAYA Ersin THE INVESTIGATION OF SPECTROSCOPIC AND THEORETICAL METHODS OF BISISOXAOLINE DERIVATIVE OF NORBORNADIEN. Anadolu Üniversitesi Bilim ve Teknoloji Dergisi :A-Uygulamalı Bilimler ve Mühendislik, vol.17, no.4, 2016, ss.641 - 659.
AMA MESCİ K,ERYILMAZ S,GÜL M,İNKAYA E THE INVESTIGATION OF SPECTROSCOPIC AND THEORETICAL METHODS OF BISISOXAOLINE DERIVATIVE OF NORBORNADIEN. Anadolu Üniversitesi Bilim ve Teknoloji Dergisi :A-Uygulamalı Bilimler ve Mühendislik. 2016; 17(4): 641 - 659.
Vancouver MESCİ K,ERYILMAZ S,GÜL M,İNKAYA E THE INVESTIGATION OF SPECTROSCOPIC AND THEORETICAL METHODS OF BISISOXAOLINE DERIVATIVE OF NORBORNADIEN. Anadolu Üniversitesi Bilim ve Teknoloji Dergisi :A-Uygulamalı Bilimler ve Mühendislik. 2016; 17(4): 641 - 659.
IEEE MESCİ K,ERYILMAZ S,GÜL M,İNKAYA E "THE INVESTIGATION OF SPECTROSCOPIC AND THEORETICAL METHODS OF BISISOXAOLINE DERIVATIVE OF NORBORNADIEN." Anadolu Üniversitesi Bilim ve Teknoloji Dergisi :A-Uygulamalı Bilimler ve Mühendislik, 17, ss.641 - 659, 2016.
ISNAD MESCİ, Kerem vd. "THE INVESTIGATION OF SPECTROSCOPIC AND THEORETICAL METHODS OF BISISOXAOLINE DERIVATIVE OF NORBORNADIEN". Anadolu Üniversitesi Bilim ve Teknoloji Dergisi :A-Uygulamalı Bilimler ve Mühendislik 17/4 (2016), 641-659.