Have a personal or library account? Click to login
Theoretical investigations on the structural, spectroscopic, electronic and thermodynamic properties of (3-Oxo-3H-benzo[f]chromen-1yl) methyl N,N-dimethylcarbamodithioate-1ex Cover

Theoretical investigations on the structural, spectroscopic, electronic and thermodynamic properties of (3-Oxo-3H-benzo[f]chromen-1yl) methyl N,N-dimethylcarbamodithioate-1ex

Open Access
|Oct 2017

References

  1. [1] EVANS B.E., RITTLE K.E., BOCK M.G., DIPARDO R.M., FREIDINGER R.M., WHITTER W.L., LUNDELL G.F., VEBER D.F., ANDERSON P.S., CHANG R.S.L., LOTTI V.J., CERINO D.J., CHEN T.B., KLING P.J., KUNKEL K.A., SPRINGER J.P., HIRSHFIELD J., J. Med. Chem., 31 (1988), 2235.10.1021/jm00120a002
  2. [2] Enraf-Nonius CAD-4 Express ’88 Software, Enraf-Nonius: Delft, Holland, 1988.
  3. [3] HENRIETTE G., LORRAINE L., BETTINA H., CLEMENCE D., KELLY D., IRENEJ K., Mol. Cancer Ther., 3 (2004), 1375.
  4. [4] LAURIN P., FERROUD D., KLICH M., DUPUISHAMELIN C., MAUVAIS P., LASSAIGNE P., BONNEFOY A., MUSICKI B., Bioorg. Med. Chem. Lett., 9 (1999), 2079.10.1016/S0960-894X(99)00329-7
  5. [5] FYLAKTAKIDOU K.C., HADJIPAVLOU-LITINA D.J., LITINAS K.E., NICOLAIDES D.N., Curr. Pharm. Des., 10 (2004), 3813(30).10.2174/1381612043382710
  6. [6] KWANGWOO C., SONG-KYU P., MOOK K.H., YONGSEOK C., MYUNG-HWA K., CHUN-HO P., BO-YOUNG J., GYU C.T., HYUN-MOO C., HEEYOON L., HEE H.S., SOOK K.M., KY-YOUB N., GYOONHEE H., Bioorg. Med. Chem., 16 (2008), 530.10.1016/j.bmc.2007.09.014
  7. [7] SHARMA P.N., SHOEB A., KAPIL R.S., POPLI S.P., Indian J. Chem. B, 19 (1980), 938.10.1016/0031-9422(80)83106-2
  8. [8] SHARMA P.N., SHOEB A., KAPIL R.S., POPLI S.P., Indian J. Chem. B, 17 (1979), 299.
  9. [9] NARESHKUMAR J., JIAYI X., RAMESH M.K., FUYONG D., GUO J.Z., EMMANUEL P., J. Med. Chem., 52 (2009), 7544.
  10. [10] TRAYKOVA M., KOSTOVA I., Int. J. Pharm., 1 (2005), 29.
  11. [11] DOSHI J.M., TIAN D., XING C., J. Med. Chem., 49 (2006), 7731.
  12. [12] ALIAA M.K., MANAL M.K., EMAN K ABD EL-ALL, HEBA A.H. ELSHEMY, Int. J. Pharm. Res. Develop., 4 (2012), 310.
  13. [13] NORTH A.C.T., PHILIPS D.C., MATHEWS F.S., Acta Cryst. A, 24 (1968), 351, [14] KAMDAR N.R., HAVELIWALA D.D., MISTRY P.T., PATEL S.K., Medic. Chem. Res., 20 (2011), 854.
  14. [15] SHARMA P.N., SHOEB A., KAPIL R.S., POPLI S.P., Phytochemistry, 20 (1981), 335.10.1016/0031-9422(81)85120-5
  15. [16] ELHAFEZ O.M.A., EL KHRISY E.D., BADRIA F., FATHY A.D., Arch. Pharm. Res., 26 (2003), 686. 10.1007/BF0297667514560914
  16. [17] BHAT M.A., SIDDIQUI N., KHAN S.A., Acta Pol. Pharm., 65 (2008), 235.
  17. [18] JONES G., JACKSON W.R., CHOI C., BERGMARK W.R., J. Phys. Chem., 89 (1985), 294.10.1021/j100248a024
  18. [19] TRENOR S.R., SHULTZ A.R., LOVE B.J., LONG T.E., Chem. Rev., 104 (2004), 3059.10.1021/cr030037c15186188
  19. [20] HUNG T.T., LU Y.J., LIAO W.Y., HUANG C.L., IEEE Trans. Magn., 43 (2007), 867.10.1109/TMAG.2006.888474
  20. [21] KUMAR K.M., KOUR D., KAPOOR K., MAHABALESHWARAIAH N.M., KOTRESH O., GUPTA V. K., KANT R., Acta Cryst. E, 68 (2012), o878.10.1107/S1600536812007933329792722412730
  21. [22] EL-BAYOUKI K.A., ALY M.M., MOHAMED Y.A., BASYOUNI W.M., ABBAS S.Y., WJ Chem., 4 (2009), 161.
  22. [23] THOMAS N.A.N.C.Y., ZACHARIAH S.M., Asian J. Pharm. Clin. Res., 6 (2013), 11.
  23. [24] MAHABALESHWARAIAH N.M., RAVI H.R., VINDUVAHINI M., SREEPAD H.R., KOTRESH O., Acta Cryst. E, 68 (2012), o3001.10.1107/S160053681203975X347036023125773
  24. [25] 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 JR. J.A., 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 O., FORESMAN J.B., ORTIZ J.V., CIOSLOWSKI J., FOX D.J., Gaussian 09, Revision C.01, Gaussian, Inc.: Wallingford, CT, 2009.
  25. [26] DENNINGTON R., KEITH T., MILLAM J., GaussView, Version 5, Semichem Inc.: Shawnee Mission, KS, 2009.
  26. [27] ZHURKO G.A., ChemCraft, version 1.6 (build 304), 2009. http://www.chemcraftprog.com/.
  27. [28] TANAK H., AGAR A.A., BÜYÜKGÜNGÖR O., Spectrochim. Acta A, 87 (2012), 15.10.1016/j.saa.2011.10.05522154260
  28. [29] SUNDARAGANESAN N., KALAICHELVAN S., MEGANATHAN C., JOSHUA B.D., CORNARD J., Spectrochim. Acta A, 71 (2008), 898.10.1016/j.saa.2008.02.01618358770
  29. [30] AHMED M.K., HENRY B.R., J. Phys. Chem., 90 (1986), 1737.10.1021/j100400a002
  30. [31] RAMALINGAM S., PERIANDY S., GOVINDARAJAN M., MOHAN S., Spectrochim. Acta A, 75 (2010), 1308.10.1016/j.saa.2009.12.07220133182
  31. [32] SHELDRICK G.M., Acta Cryst., A 64 (2008), 112.10.1107/S010876730704393018156677
  32. [33] BABU P.D., PERIANDY S., MOHAN S., RAMALINGAM S., JAYAPRAKASH B.G., Spectrochim. Acta A, 78 (2011), 168.10.1016/j.saa.2010.09.01720943432
  33. [34] SUNDARAGANESAN N., ILAKIAMANI S., SALEEM H., WOJICIECHOWSKI P.M., MICHALSKA D., Spectrochim. Acta A, 61 (2005), 2995.10.1016/j.saa.2004.11.01616165042
  34. [35] KRISHNAKUMAR V., JOHN XAVIER R., Indian J. Pure. Appl. Phys., 41 (2003), 597.
  35. [36] KRISHNAKUMAR V., PRABAVATHI N., Spectrochim. Acta A, 71 (2008), 449.10.1016/j.saa.2007.12.03318282798
  36. [37] ALTUN A., GOLCUK K., KUMRU M., J. Mol. Struct., 637 (2003), 155.10.1016/S0166-1280(03)00531-1
  37. [38] SINGH S.J., PANDEY S.M., Indian J. Pure. Appl. Phys., 12 (1974), 300.
  38. [39] SINGH R.N., PRASAD S.C., Spectrochim. Acta A, 34 (1978), 39.10.1016/0584-8539(78)80183-4
  39. [40] SILVERSTEIN M., BASSLER G.C., MORRIL C., Spectro-scopic Identification of Organic Compounds, 5th Ed., John Wiley & Sons Inc., Singapore, 1991.
  40. [41] ALTUN A., GOLCUK K., KUMRU M., J. Mol. Struct., 625 (2003), 17.10.1016/S0166-1280(02)00698-X
  41. [42] DURIG J.R., BERGANA M.M., PHAN H.V., J. Raman Spectrosc., 22 (1991), 141.10.1002/jrs.1250220304
  42. [43] LITIVINOV G., Proceedings of the 13th International Conference on Raman Spectroscopy, Würzburg, Germany, 1992.
  43. [44] GOVINDARAJAN M., GANASAN K., PERIANDY S., MOHAN S., Spectrochim. Acta A, 76 (2010), 12.10.1016/j.saa.2010.02.029
  44. [45] SILVERSTEIN R.M., BASSELER G.C., MORILL C., Spectroscopic Identification of Organic Compounds, Wiley, New York, 1981.
  45. [46] KARAKURT T., DINCER M., ÇUKUROVALI A., YILMAZ I., J. Mol. Struct., 991 (2011), 186.
  46. [47] TECKLENBURG M.M.J., KOSNAK D.J., BHATNAGAR A., MOHANTY D.K., J. Raman Spectr., 28 (1997), 755.10.1002/(SICI)1097-4555(199710)28:10<;755::AID-JRS143>3.0.CO;2-V
  47. [48] PAJAZK J., ROSPENK M., RAMAEKERS R., MAES G., GŁOWIAK T., SOBCZYK L., Chem. Phys., 278 (2002), 89.10.1016/S0301-0104(02)00422-6
  48. [49] ARIVAZHAGAN M., KRISHNAKUMAR V., JOHNXAVIER R., ILANGO V., BALACHANDRAN K., Spectrochim. Acta A, 72 (2009), 941.10.1016/j.saa.2008.12.016
  49. [50] VARASANYI G., Vibrational Spectra of Benzene Derivatives, Academic Press, New York, 1969.10.1016/B978-0-12-714950-9.50007-7
  50. [51] SILVERSTEIN R.M., WEBSTOR F.X., Spectrometric Identification of Organic Compounds, 6th Ed., JohnWilley & Sons, New York, 1998.
  51. [52] COLTHUP N.B., DALY L.H., WIBERLY S.E., Introduction to Infrared and Raman Spectroscopy, 3rd Ed., Academic Press, Boston, MA, 1990.
  52. [53] SOCRATES G., Infrared Characteristic Group Frequencies, John Wiley and Sons, New York, 1980.
  53. [54] JAMES C., AMAL RAJ A., REGHUNATHAN R., HUBERT JOE I., JAYAKUMAR V.S., J. Raman Spect., 37 (2006), 1381.10.1002/jrs.1554
  54. [55] LIU J.N., CHEN Z.R., YUAN S.F., J. Zhejiang Univ. Sci. B, 6 (2005), 584.10.1631/jzus.2005.B0584
  55. [56] MUTHU S., PRASATH M., Spectrochim. Acta A, 115 (2013), 789.10.1016/j.saa.2013.06.024
  56. [57] SCHWENKE D.W., TRUHLAR D.G., J. Chem. Phys., 82 (1985), 2418.10.1063/1.448335
  57. [58] GUTOWSKI M., CHALASINSKI G., J. Chem. Phys., 98 (1993), 4728.10.1063/1.465106
  58. [59] TANAK H., AGAR A.A., BÜYÜKGÜNGÖR O., Spectrochim. Acta A, 118 (2014), 672.10.1016/j.saa.2013.08.054
  59. [60] MULLIKEN R.S., J. Chem. Phys., 23 (1955), 1833.10.1063/1.1740588
  60. [61] JIAN F.F., ZHAO P.S., BAI Z.S., ZHANG L., Struct. Chem., 16 (2005), 635.10.1007/s11224-005-8254-z
  61. [62] FLEMING I., Frontier Orbitals and Organic Chemical Reactions, Wiley, London, 1976.
  62. [63] OBOT I.B., JOHNSON A.S., Elixir Comp. Chem., 43 (2012), 6658.
  63. [64] PIR H., GÜNAY N., AVCI D., TAMER Ö., TARCAN E., ATALAY Y., Arab. J. Sci. Eng., 39 (2014), 5799.
  64. [65] SCROCCO E., TOMASI J., Adv. Quantum Chem., 11 (1979), 115.10.1016/S0065-3276(08)60236-1
  65. [66] LUQUE F.J., LOPEZ J.M., OROZCO M., Theor. Chem. Acc., 103 (2000), 343.10.1007/s002149900013
  66. [67] TANAK H., TOY M., J. Mol. Struct., 1068 (2014), 189. 10.1016/j.molstruc.2014.04.014
  67. [68] EVECEN M., TANAK H., Mater. Sci.-Poland, 34 (2016), 886.10.1515/msp-2016-0115
DOI: https://doi.org/10.1515/msp-2017-0064 | Journal eISSN: 2083-134X | Journal ISSN: 2083-1331
Language: English
Page range: 560 - 575
Submitted on: Oct 27, 2016
Accepted on: Jul 6, 2017
Published on: Oct 31, 2017
Published by: Wroclaw University of Science and Technology
In partnership with: Paradigm Publishing Services
Publication frequency: 4 issues per year
Keywords:

© 2017 Mehmet Kara, Meryem Evecen, Telhat Özdogan, published by Wroclaw University of Science and Technology
This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 License.