Spectroscopic, structural and theoretical studies of 2-methyl-4- nitroaniline (MNA) crystal. Electronic transitions in IR

Journal of Raman Spectroscopy

Volumn 39, Issue 7, 2008, Pages 849-862

  Okwieka, U ^a   Szostak, M M ^a   Misiaszek, T ^a   Turowska Tyrk, I ^a   Natkaniec, I ^b,c   Pavlukojc A ^b,d  

^a WROCLAW UNIVERSITY OF TECHNOLOGY   (Poland)

^b JOINT INSTITUTE FOR NUCLEAR RESEARCH   (Russian Federation)

^c INSTITUTE OF NUCLEAR PHYSICS   (Poland)

^d INSTITUTE OF NUCLEAR CHEMISTRY AND TECHNOLOGY   (Poland)

Author keywords

Electronic transitions in IR; Hydrogen bonds; Ion radicals; NLO crystal; Vibrational spectra

Indexed keywords

BROMINE COMPOUNDS; CHARGE TRANSFER; CRYSTAL STRUCTURE; DENSITY FUNCTIONAL THEORY; ELECTRON SPIN RESONANCE SPECTROSCOPY; INFRARED DEVICES; NEUTRON SCATTERING; POTASSIUM COMPOUNDS; POTENTIAL ENERGY; ULTRAVIOLET SPECTROSCOPY; VIBRATION ANALYSIS;

ELECTRONIC TRANSITION; ELECTRONIC TRANSITION IN IR; ION RADICALS; NITROANILINES; NLO CRYSTALS; SPECTRA'S; SPECTROSCOPIC STUDIES; STRUCTURAL STUDIES; THEORETICAL STUDY; UV-VIS-NIR;

HYDROGEN BONDS;

EID: 51549106159     PISSN: 03770486     EISSN: 10974555     Source Type: Journal    
DOI: 10.1002/jrs.1924     Document Type: Article

References (40)

1. Levine BF, Bethea CG, Thurmond CD, Lynch RT, Bernstein JL. J. Appl. Phys. 1979; 50: 2535.
2. Lipscomb GF, Garito AF, Narang RS. J. Chem. Phys. 1981; 75: 1509.
3. Zyss J. J. Non-Cryst. Solids 1982; 47: 211.
4. Ferguson G, Glidewell C, Low JN, Skalde JMS, Wardell JL. Acta Cryst. 2001; C57: 315.
5. Vallée R, Damman P, Dosiere M, Toussaere E, Zyss J. J. Am. Chem. Soc. 2000; 122: 6701.
6. Vallée R, Damman P, Dosiere M, Scalmani G, Bredas J. J. Phys. Chem. 2001; 105: 6064.
7. Nogueira EMD, de Gomes E, Belsley MS, Lancere-Mendez S, Cunha JM, Vega A, Mano JF. Solid State Sci. 2001; 3: 733.
8. Tokura Y, Kurita A, Koda T. Phys. Rev. B 1985; 31: 2588.
9. Guillaume M, Botek E, Champagne B, Castet F, Durasse L. Int. J. Quantum Chem. 2002; 90: 1378.
10. Szostak MM, Kozankiewicz B, Lipinski J. Spectrochim. Acta 2007; 67: 1412.
11. Szostak MM, Germańska J, Kowala A. J. Mol. Struct. 1990; 222: 285.
12. Szostak MM. Chem. Phys. 1988; 121: 449.
13. Szostak MM, Le Calvé N, Romain F, Pasquier B. Chem. Phys. 1994; 187: 373.
14. Szostak MM, Misiaszek T, Roszak S, Rankin JG, Czernuszewicz RS. J. Phys. Chem. 1995; 99: 14992.
15. Mizuno M. Spectrochim. Acta 1978; 34A: 947.
16. Albrecht A. J. Chem. Phys. 1961; 34: 1118.
17. Wiesman JL, Mattioda A, Lee TJ, Hudgins DM, Allamandda LJ, Bauschlicher Jr. CW, Head-Gordon M. Phys. Chem. Chem. Phys. 2005; 7: 109.
18. Szostak MM, Jakubowski B, Komorowska M. Mol. Cryst. Liq. Cryst. 1993; 229: 7.
19. Szostak MM, Wójcik G, Gallier J, Bertault M, Freundlich P, Kolodziej HA. Chem. Phys. 1998; 229: 275.
20. Szostak MM, Kozankiewicz B, Wojcik G, Lipiński J. J. Chem. Soc., Faraday Trans. 1998; 94: 3241.
21. Szostak MM, Czarnecki MA. Pol. J. Chem. 2002; 76: 419.
22. Howard ST, Hursthouse MB, Lehmann CW, Mallinson PR, Frampton CS. J. Chem. Phys. 1992; 97: 5616.
23. Whitten AE, Turner P, Klooster WT, Piltz RO, Spackman MA. J. Phys. Chem. A 2006; 110: 8776.
24. Hartshorne NH, Stuart A. Crystals and Polarising Microscope. Edward Arnold: London, 1960.
25. Frisch MJ, Trucks GW, Schlegel HB, Scuseria GE, Robb MA, Cheeseman JR, Montgomery Jr. JA, Vreven T, Kudin KN, Burant JC, Millam JM, Iyengar SS, Tomasi J, Barone V, Mennucci B, Cossi M, Scalmani G, Rega N, Petersson GA, Nakatsuji H, Hada M, Ehara M, Toyota K, Fukuda R, Hasegawa J, Ishida M, Nakajima T, Honda Y, Kitao O, Nakai H, Klene M, Li X, Knox JE, Hratchian HP, Cross JB, Bakken V, Adamo C, Jaramillo J, Gomperts R, Stratmann RE, Yazyev O, Austin AJ, Cammi R, Pomelli C, Ochterski JW, Ayala PY, Morokuma K, Voth GA, Salvador P, Dannenberg JJ, Zakrzewski VG, Dapprich S, Daniels AD, Strain MC, Farkas O, Malick DK, Rabuck AD, Raghavachari K, Foresman JB, Ortiz JV, Cui Q, Baboul AG, Clifford S, Cioslowski J, Stefanov BB, Liu G, Liashenko A, Piskorz P, Komaromi I, Martin RL, Fox DJ, Keith T, Al-Laham MA, Peng CY, Nanayakkara A, Challacombe M, Gill PMW, Johnson B, Chen W, Wong MW, Gonzalez C, Pople JA. Gaussian 03, Revision C.02, Gaussian: Wallingford, 2004.
26. Scott AP, Radom L. J. Phys. Chem. 1996; 100: 16502.
27. Varsányi G. Vibrational Spectra of Benzene Derivatives. Akadémiai Kiadó: Budapest, 1969.
28. Moszyńska-Mierzecka B. DSc. Dissertation, Warsaw Technical University: 1978; (in Polish).
29. Rohleder JW, Luty T. Molecular Crystals 1968; 5: 145.
30. Morita R, Ongasawara N, Umegaki S, Ito R. Jpn. J. Appl. Phys. 1987; 26: L 1711.
31. Crabtree RH, Siegbahn PEM, Einstein O, Rheingold AL. Acc. Chem. Res. 1996; 29: 348.
32. Grabowski SJ, Sokalski WA, Leszczyński J. Chem. Phys. 2007; 337: 68.
33. Desiraju GR, Gavezotti A. Acta Cryst. B 1988; 44: 427.
34. Desiraju GR, Gavezotti A. Acta Cryst. B 1989; 45: 473.
35. Lautié A, Froment F, Novak A. Spectr. Lett. 1976; 9: 289.
36. Pavlukojć A, Natkaniec I, Bator G, Sobczyk L, Grech E, Nowicka-Scheibe J. Spectrochim. Acta A 2006; 63: 766.
37. Zych T, Misiaszek T, Szostak MM. Chem. Phys. 2007; 340: 260.
38. Zyss J, Berthier G. J. Chem. Phys. 1982; 77: 3635.
39. Józefiak TH, Miller LL. J. Am. Chem. Soc. 1987; 109: 6560.
40. Small D, Zaitsev V, Jung Y, Rosokha SV, Head-Gordon M, Kochi KJ. J. Am. Chem. Soc. 2004; 126: 13850.