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

[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/jm00120a002Open DOISearch in Google Scholar

[2] Enraf-Nonius CAD-4 Express ’88 Software, Enraf-Nonius: Delft, Holland, 1988.Search in Google Scholar

[3] HENRIETTE G., LORRAINE L., BETTINA H., CLEMENCE D., KELLY D., IRENEJ K., Mol. Cancer Ther., 3 (2004), 1375.Search in Google Scholar

[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)00329-7Open DOISearch in Google Scholar

[5] FYLAKTAKIDOU K.C., HADJIPAVLOU-LITINA D.J., LITINAS K.E., NICOLAIDES D.N., Curr. Pharm. Des., 10 (2004), 3813(30).10.2174/1381612043382710Search in Google Scholar

[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.2007.09.014Open DOISearch in Google Scholar

[7] SHARMA P.N., SHOEB A., KAPIL R.S., POPLI S.P., Indian J. Chem. B, 19 (1980), 938.10.1016/0031-9422(80)83106-2Search in Google Scholar

[8] SHARMA P.N., SHOEB A., KAPIL R.S., POPLI S.P., Indian J. Chem. B, 17 (1979), 299.Search in Google Scholar

[9] NARESHKUMAR J., JIAYI X., RAMESH M.K., FUYONG D., GUO J.Z., EMMANUEL P., J. Med. Chem., 52 (2009), 7544.Search in Google Scholar

[10] TRAYKOVA M., KOSTOVA I., Int. J. Pharm., 1 (2005), 29.Search in Google Scholar

[11] DOSHI J.M., TIAN D., XING C., J. Med. Chem., 49 (2006), 7731.Search in Google Scholar

[12] ALIAA M.K., MANAL M.K., EMAN K ABD EL-ALL, HEBA A.H. ELSHEMY, Int. J. Pharm. Res. Develop., 4 (2012), 310.Search in Google Scholar

[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.Search in Google Scholar

[15] SHARMA P.N., SHOEB A., KAPIL R.S., POPLI S.P., Phytochemistry, 20 (1981), 335.10.1016/0031-9422(81)85120-5Open DOISearch in Google Scholar

[16] ELHAFEZ O.M.A., EL KHRISY E.D., BADRIA F., FATHY A.D., Arch. Pharm. Res., 26 (2003), 686. 10.1007/BF0297667514560914Open DOISearch in Google Scholar

[17] BHAT M.A., SIDDIQUI N., KHAN S.A., Acta Pol. Pharm., 65 (2008), 235.Search in Google Scholar

[18] JONES G., JACKSON W.R., CHOI C., BERGMARK W.R., J. Phys. Chem., 89 (1985), 294.10.1021/j100248a024Search in Google Scholar

[19] TRENOR S.R., SHULTZ A.R., LOVE B.J., LONG T.E., Chem. Rev., 104 (2004), 3059.10.1021/cr030037c15186188Search in Google Scholar

[20] HUNG T.T., LU Y.J., LIAO W.Y., HUANG C.L., IEEE Trans. Magn., 43 (2007), 867.10.1109/TMAG.2006.888474Search in Google Scholar

[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/S1600536812007933329792722412730Search in Google Scholar

[22] EL-BAYOUKI K.A., ALY M.M., MOHAMED Y.A., BASYOUNI W.M., ABBAS S.Y., WJ Chem., 4 (2009), 161.Search in Google Scholar

[23] THOMAS N.A.N.C.Y., ZACHARIAH S.M., Asian J. Pharm. Clin. Res., 6 (2013), 11.Search in Google Scholar

[24] MAHABALESHWARAIAH N.M., RAVI H.R., VINDUVAHINI M., SREEPAD H.R., KOTRESH O., Acta Cryst. E, 68 (2012), o3001.10.1107/S160053681203975X347036023125773Search in Google Scholar

[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.Search in Google Scholar

[26] DENNINGTON R., KEITH T., MILLAM J., GaussView, Version 5, Semichem Inc.: Shawnee Mission, KS, 2009.Search in Google Scholar

[27] ZHURKO G.A., ChemCraft, version 1.6 (build 304), 2009. http://www.chemcraftprog.com/.Search in Google Scholar

[28] TANAK H., AGAR A.A., BÜYÜKGÜNGÖR O., Spectrochim. Acta A, 87 (2012), 15.10.1016/j.saa.2011.10.05522154260Search in Google Scholar

[29] SUNDARAGANESAN N., KALAICHELVAN S., MEGANATHAN C., JOSHUA B.D., CORNARD J., Spectrochim. Acta A, 71 (2008), 898.10.1016/j.saa.2008.02.01618358770Search in Google Scholar

[30] AHMED M.K., HENRY B.R., J. Phys. Chem., 90 (1986), 1737.10.1021/j100400a002Search in Google Scholar

[31] RAMALINGAM S., PERIANDY S., GOVINDARAJAN M., MOHAN S., Spectrochim. Acta A, 75 (2010), 1308.10.1016/j.saa.2009.12.07220133182Search in Google Scholar

[32] SHELDRICK G.M., Acta Cryst., A 64 (2008), 112.10.1107/S010876730704393018156677Search in Google Scholar

[33] BABU P.D., PERIANDY S., MOHAN S., RAMALINGAM S., JAYAPRAKASH B.G., Spectrochim. Acta A, 78 (2011), 168.10.1016/j.saa.2010.09.01720943432Search in Google Scholar

[34] SUNDARAGANESAN N., ILAKIAMANI S., SALEEM H., WOJICIECHOWSKI P.M., MICHALSKA D., Spectrochim. Acta A, 61 (2005), 2995.10.1016/j.saa.2004.11.01616165042Search in Google Scholar

[35] KRISHNAKUMAR V., JOHN XAVIER R., Indian J. Pure. Appl. Phys., 41 (2003), 597.Search in Google Scholar

[36] KRISHNAKUMAR V., PRABAVATHI N., Spectrochim. Acta A, 71 (2008), 449.10.1016/j.saa.2007.12.03318282798Search in Google Scholar

[37] ALTUN A., GOLCUK K., KUMRU M., J. Mol. Struct., 637 (2003), 155.10.1016/S0166-1280(03)00531-1Search in Google Scholar

[38] SINGH S.J., PANDEY S.M., Indian J. Pure. Appl. Phys., 12 (1974), 300.Search in Google Scholar

[39] SINGH R.N., PRASAD S.C., Spectrochim. Acta A, 34 (1978), 39.10.1016/0584-8539(78)80183-4Search in Google Scholar

[40] SILVERSTEIN M., BASSLER G.C., MORRIL C., Spectro-scopic Identification of Organic Compounds, 5th Ed., John Wiley & Sons Inc., Singapore, 1991.Search in Google Scholar

[41] ALTUN A., GOLCUK K., KUMRU M., J. Mol. Struct., 625 (2003), 17.10.1016/S0166-1280(02)00698-XSearch in Google Scholar

[42] DURIG J.R., BERGANA M.M., PHAN H.V., J. Raman Spectrosc., 22 (1991), 141.10.1002/jrs.1250220304Open DOISearch in Google Scholar

[43] LITIVINOV G., Proceedings of the 13th International Conference on Raman Spectroscopy, Würzburg, Germany, 1992.Search in Google Scholar

[44] GOVINDARAJAN M., GANASAN K., PERIANDY S., MOHAN S., Spectrochim. Acta A, 76 (2010), 12.10.1016/j.saa.2010.02.029Search in Google Scholar

[45] SILVERSTEIN R.M., BASSELER G.C., MORILL C., Spectroscopic Identification of Organic Compounds, Wiley, New York, 1981.Search in Google Scholar

[46] KARAKURT T., DINCER M., ÇUKUROVALI A., YILMAZ I., J. Mol. Struct., 991 (2011), 186.Search in Google Scholar

[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-VSearch in Google Scholar

[48] PAJAZK J., ROSPENK M., RAMAEKERS R., MAES G., GŁOWIAK T., SOBCZYK L., Chem. Phys., 278 (2002), 89.10.1016/S0301-0104(02)00422-6Search in Google Scholar

[49] ARIVAZHAGAN M., KRISHNAKUMAR V., JOHNXAVIER R., ILANGO V., BALACHANDRAN K., Spectrochim. Acta A, 72 (2009), 941.10.1016/j.saa.2008.12.016Search in Google Scholar

[50] VARASANYI G., Vibrational Spectra of Benzene Derivatives, Academic Press, New York, 1969.10.1016/B978-0-12-714950-9.50007-7Search in Google Scholar

[51] SILVERSTEIN R.M., WEBSTOR F.X., Spectrometric Identification of Organic Compounds, 6th Ed., JohnWilley & Sons, New York, 1998.Search in Google Scholar

[52] COLTHUP N.B., DALY L.H., WIBERLY S.E., Introduction to Infrared and Raman Spectroscopy, 3rd Ed., Academic Press, Boston, MA, 1990.Search in Google Scholar

[53] SOCRATES G., Infrared Characteristic Group Frequencies, John Wiley and Sons, New York, 1980.Search in Google Scholar

[54] JAMES C., AMAL RAJ A., REGHUNATHAN R., HUBERT JOE I., JAYAKUMAR V.S., J. Raman Spect., 37 (2006), 1381.10.1002/jrs.1554Search in Google Scholar

[55] LIU J.N., CHEN Z.R., YUAN S.F., J. Zhejiang Univ. Sci. B, 6 (2005), 584.10.1631/jzus.2005.B0584Search in Google Scholar

[56] MUTHU S., PRASATH M., Spectrochim. Acta A, 115 (2013), 789.10.1016/j.saa.2013.06.024Search in Google Scholar

[57] SCHWENKE D.W., TRUHLAR D.G., J. Chem. Phys., 82 (1985), 2418.10.1063/1.448335Search in Google Scholar

[58] GUTOWSKI M., CHALASINSKI G., J. Chem. Phys., 98 (1993), 4728.10.1063/1.465106Search in Google Scholar

[59] TANAK H., AGAR A.A., BÜYÜKGÜNGÖR O., Spectrochim. Acta A, 118 (2014), 672.10.1016/j.saa.2013.08.054Search in Google Scholar

[60] MULLIKEN R.S., J. Chem. Phys., 23 (1955), 1833.10.1063/1.1740588Search in Google Scholar

[61] JIAN F.F., ZHAO P.S., BAI Z.S., ZHANG L., Struct. Chem., 16 (2005), 635.10.1007/s11224-005-8254-zSearch in Google Scholar

[62] FLEMING I., Frontier Orbitals and Organic Chemical Reactions, Wiley, London, 1976.Search in Google Scholar

[63] OBOT I.B., JOHNSON A.S., Elixir Comp. Chem., 43 (2012), 6658.Search in Google Scholar

[64] PIR H., GÜNAY N., AVCI D., TAMER Ö., TARCAN E., ATALAY Y., Arab. J. Sci. Eng., 39 (2014), 5799.Search in Google Scholar

[65] SCROCCO E., TOMASI J., Adv. Quantum Chem., 11 (1979), 115.10.1016/S0065-3276(08)60236-1Search in Google Scholar

[66] LUQUE F.J., LOPEZ J.M., OROZCO M., Theor. Chem. Acc., 103 (2000), 343.10.1007/s002149900013Search in Google Scholar

[67] TANAK H., TOY M., J. Mol. Struct., 1068 (2014), 189. 10.1016/j.molstruc.2014.04.014Search in Google Scholar

[68] EVECEN M., TANAK H., Mater. Sci.-Poland, 34 (2016), 886.10.1515/msp-2016-0115Search in Google Scholar