Vibrational spectroscopic (FT-IR, FT-Raman, SERS) and quantum chemical calculations of 3-(10,10-dimethyl-anthracen-9-ylidene)-N,N,N- trimethylpropanaminiium chloride (Melitracenium chloride)

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 120, Issue , 2014, Pages 370-380

  Mary, Y Shyma ^a,b   Jojo, P J ^b   Van Alsenoy, Christian ^c   Kaur, Manpreet ^d   Siddegowda, M S ^d   Yathirajan, H S ^d   Nogueira, Helena I S ^e   Cruz, Sandra M A ^e  

^a BHARATHIAR UNIVERSITY   (India)

^b FATIMA MATA NATIONAL COLLEGE   (India)

^c UNIVERSITY OF ANTWERP   (Belgium)

^d UNIVERSITY OF MYSORE   (India)

^e UNIVERSITY OF AVEIRO   (Portugal)

Author keywords

FT IR; FT Raman; Melitracenium; PED; SERS

Indexed keywords

FUNCTIONAL GROUPS; MOLECULES; QUANTUM CHEMISTRY; RAMAN SCATTERING; RAMAN SPECTROSCOPY;

FT-IR; FT-RAMAN; MELITRACENIUM; PED; SERS;

CHLORINE COMPOUNDS;

ANTHRACENE; ANTHRACENE DERIVATIVE; CHLORIDE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; FT-IR; FT-RAMAN; INFRARED SPECTROSCOPY; MELITRACENIUM; METHYLATION; PED; QUANTUM THEORY; RAMAN SPECTROMETRY; SERS; STATIC ELECTRICITY;

FT-IR; FT-RAMAN; MELITRACENIUM; PED; SERS;

ANTHRACENES; CHLORIDES; METHYLATION; MODELS, MOLECULAR; QUANTUM THEORY; SPECTROSCOPY, FOURIER TRANSFORM INFRARED; SPECTRUM ANALYSIS, RAMAN; STATIC ELECTRICITY;

EID: 84887071882     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2013.10.021     Document Type: Article

References (67)

1. R.C. Maher, L.F. Cohen, and P. Etchegoin Chem. Phys. Lett. 352 2002 378 384
2. S. Nie, and S.R. Emory Science 275 1997 1102 1106
3. J. Bukowska J. Mol. Struct. 275 1992 151 157
4. J. Chowdhury, M. Ghosh, and T.N. Misra J. Colloid Interface Sci. 228 2000 372 378
5. M. Van Moffaert, D. Diercik, F. De Meulemeester, and A. Vereecken Acta Psychiatr. Belg. 83 1983 525 539
6. R. Jewell, in: S.J. Enna, D.B. Bylund (Eds), xPharm, The Comprehensive Pharmacology Reference, 2008.
7. L. Wang, G. Gangtie, and Y. Qiu J. Appl. Phys. 97 2005 114503 114506
8. A. Chandran, Y.S. Mary, H.T. Varghese, C.Y. Panicker, P. Pazdera, and G. Rajendran Spectrochim Acta 79 2011 1584 1592
9. C.G. Bi, Z.S. Li, W.H. Qiao, G.R. Wang, and J. Yu Fine Specialty Chem. 15 2007 20 23
10. I. Yavari, A.R. Alborzi, and B. Mohtat Dyes Pigments 68 2006 85 88
11. Y. Yan, X. Su, Y. Liang, J. Zhang, C. Shi, Y. Lu, L. Gu, and L. Fu Mol. Cancer Ther. 7 2008 1688 1697
12. A.M. Ali, N.H. Ismail, M.M. Mackeen, L.S. Yazan, S.M. Mohamed, A.S.H. Ho, and N.H. Lajis Pharm. Biol. 38 2000 298 301
13. N.P. Nanayakkara, and K.K. Schrader J. Agric. Food Chem. 56 2008 1002 1007
14. H. Gruen, and H. Goerner Photochem. Photobiol. Sci. 7 2008 1344 1352
15. R.C. Francis, S.J. Shin, S. Omori, T.E. Amidon, and T.J. Blain J. Wood Chem. Technol. 26 2006 141 152
16. N. Li, Y. Ma, C. Yang, L.P. Guo, and X.R. Yang Biophys. Chem. 116 2005 199 205
17. M. Shamsipur, B. Hemmateenejad, M. Akhond, and H. Shargi Talanta 54 2001 1113 1120
18. G. Zagotto, R. Supino, E. Favini, S. Moro, and M. Palumbo Il Farmaco 55 2000 1 3
19. H.-K. Fun, M. Hemamalini, M.S. Siddegowda, H.S. Yathirajan, and B. Narayana Acta Cryst. E67 2011 o1725-o1725
20. P.C. Lee, D.J. Meisel, J. Phys. Chem. 86 (1982) 3391-3395.
21. M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, G.A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H.P. Hratchian, A.F. Izmaylov, J. Bloino, G. Zheng, J.L. Sonnenberg, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, T. Vreven, J.A. Montgomery Jr., J.E. Peralta, F. Ogliaro, M. Bearpark, J.J. Heyd, E. Brothers, K.N. Kudin, V.N. Staroverov, T. Keith, R. Kobayashi, J. Normand, K. Raghavachari, A. Rendell, J.C. Burant, S.S. Iyengar, J. Tomasi, M. Cossi, N. Rega, J.M. Millam, M. Klene, J.E. Knox, J.B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R.E. Stratmann, O. Yazyev, A.J. Austin, R. Cammi, C. Pomelli, J.W. Ochterski, R.L. Martin, K. Morokuma, V.G. Zakrzewski, G.A. Voth, P. Salvador, J.J. Dannenberg, S. Dapprich, A.D. Daniels, O. Farkas, J.B. Foresman, J.V. Ortiz, J. Cioslowski, and D.J. Fox Gaussian 09, Revision B.01 2010 Gaussian Inc. Wallingford CT
22. H.B. Schlegel J. Comp. Chem. 3 1982 214 218
23. R. Dennington, T. Keith, J. Millam, GaussView, Version 5, Semichem Inc., Shawnee Mission KS, 2009.
24. J.B. Foresman E. Frisch, Exploring Chemistry with Electronic Structure Methods: A Guide to Using Gaussian 1996 Gaussian Inc. Pittsburg, PA
25. P.J. Hay, and W.R. Wadt J. Chem. Phys. 82 1985 270 283
26. J.Y. Zhao, Y. Zhang, and L.G. Zhu J. Mol. Struct. Theochem. 671 2004 179 287
27. J.M.L. Martin, C. Van Alsenoy, GAR2PED, A Program to Obtain a Potential Energy Distribution from a Gaussian Archive Record, University of Antwerp, Belgium, 2007.
28. N.P.G. Roeges A Guide to the Complete Interpretation of Infrared Spectra of Organic Structures 1994 Wiley New York
29. N.B Colthup, L.H. Daly, and S.E. Wiberly Introduction to Infrared and Raman spectroscopy third ed. 1990 Academic Press Boston
30. R.M Silverstein, G.C. Bassler, and T.C. Morril Spectrometric Identification of Organic Compounds fifth ed. 1991 John Wiley and Sons Inc. Singapore
31. S. Kundoo, A.N. Banerjee, P. Saha, and K.K. Chattopadhyay Mater. Lett. 57 2003 2193 2197
32. T. Joseph, H.T. Varghese, C.Y. Panicker, K. Viswanathan, M. Dolezal, T.K. Manojkumar, and C. Van Alsenoy Spectrochim. Acta, Part A 113 2013 203 214
33. J.M. Fanchiang, and D.H. Tseng Chemosphere 77 2009 214 221
34. S.Y. Leeo, and B.H. Boo Bull. Korean Chem. Soc. 17 1996 754 759
35. S. Zilberg, Y. Hass, and S. Shaik J. Phys. Chem. 99 1995 16558 16565
36. D. Kafer, G. Witte, P. Cyganik, A. Terfort, and C. Woll J. Am. Chem. Soc. 128 2006 1723 1732
37. X. Wang, G. Valverde-Aguilar, M.N. Weaver, S.F. Nelson, and J.I. Zink J. Phys. Chem. A111 2007 5441 5447
38. J.V. Lockard, A.B. Ricks, D.T. Co, and M.R. Wasielewski Phys. Chem. Lett. 1 2010 215 218
39. S.A. Asher Anal. Chem. 56 1984 720 724
40. E.D. Glendening, A.E. Reed, J.E. Carpenter, F. Weinhold, NBO 3.0 Program Manual, Theoretical Chemistry Institute, University of Wisconsin, Madison, WI.
41. J. Choo, S. Kim, H. Joo, and Y. Kwon J. Mol. Struct. (Theochem.) 587 2002 1 8
42. Y.R. Shen The Principles of Nonlinear Optics 1984 Wiley New York
43. P.V. Kolinsky Opt. Eng. 31 1992 1676 1684
44. D.F. Eaton Science 25 1991 281 287
45. D.A. Kleinman Phys. Rev. 126 1962 1977 1979
46. M. Adant, L. Dupuis, and L. Bredas Int. J. Quantum Chem. 56 2004 497 507
47. P. Politzer, P.R. Laurence, and K. Jayasuriya Health Persp. 61 1985 191 202
48. P. Politzer, and P. Lane Struct. Chem. 61 1990 159 164
49. E. Scrocco, and J. Omasi Adv. Quantum Chem 103 1978 115 193
50. F.J. Luque, J.M. Lopez, and M. Orozco Theor. Chem. Acc. 103 2000 343 345
51. P. Politzer, and J.S. Murray D.L. Beveridge, R. Lavery, Theoretical Biochemistry and Molecular Biophysics: A Comprehensive Survey, vol. 2, Protein 1991 Adenine Press Schenectady, NY (Chap. 13)
52. E. Scrocco, and J. Tomasi Top. Curr. Chem. 42 1973 95 170
53. P.V.R. Schleyer, P.K. Freeman, H. Jiao, and B. Goldfuss Angew. Chem. Int. Ed. Engl. 34 1995 337 340
54. C. Nguyen, B.K.V. Hansen, S.V. Hoffmann, and J.S. Larsen Chem. Phys. 352 2008 167 174
55. M. Bambagiotti-Alberti, G. Bartolucci, B. Bruni, S.A. Coran, and M.D. Vaira J. Pharm. Biomed. Anal. 49 2009 1065 1069
56. H. Dang, M. Levitus, and M.A. Garcia-Garibay J. Am. Chem. Soc. 124 2002 136 143
57. E. Cane, A. Miani, P. Palmieri, R. Tarroni, and A. Trombetti J. Chem. Phys. 106 1997 9004 9012
58. A. Creighton Spectroscopy of Surfaces - Advances in Spectroscopy vol. 16 1988 John Wiley and Sons Inc New York (pp. 37)
59. G. Levi, J. Patigny, J.P. Massault, J. Aubard, Thirteenth International Conference on Raman Spectroscopy, Wurzburg, 1992, pp. 652.
60. J.S. Suh, and M. Moskovits J. Am. Chem. Soc. 108 1986 4711 4718
61. C.Y. Panicker, H.T. Varghese, and L. Ushakumary J. Raman Spectrosc. 40 2009 2023 2030
62. C.Y. Panicker, H.T. Varghese, A. Raj, T. Ertan-Bolelli, I. Yildiz, O. Temiz-Arpaci, C.M. Granadeiro, H.I.S. Nogueira, and K. Castkova Spectrochim. Acta, Part A 74 2009 132 139
63. Y.S. Mary, K. Raju, T.E. Bolelli, I. Yildiz, H.I.S. Nogueira, C.M. Granadeiro, and C. Van Alsenoy J. Mol. Struct. 1012 2012 22 30
64. Y. Xie, X. Wang, X. Han, X. Xue, W. Ji, Z. Qi, J. Liu, B. Zhao, and Y. Ozaki Analyst 135 2010 1389 1394
65. H.T. Varghese, C.Y. Panicker, D. Philip, J.R. Mannekutla, and S.R. Inamdar Spectrochim. Acta, Part A 66 2007 959 963
66. Y.S. Mary, K. Raju, I. Yildiz, O. Temiz-Arpaci, H.I.S. Nogueira, C.M. Granadeiro, and C. Van Alsenoy Spectrochim. Acta, Part A 96 2012 617 625
67. S. Kai, W. Chaozhi, and X. Guangzhi Spectrochim. Acta, Part A 45 1989 1029 1032