Synthesis, vibrational spectral and nonlinear optical studies of N-(4-hydroxy-phenyl)-2-hydroxybenzaldehyde-imine: A combined experimental and theoretical investigation

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 79, Issue 5, 2011, Pages 1475-1482

  Wang, Yufeng ^a   Yu, Zongxue ^a,c   Sun, Yuxi ^a,b   Wang, Yishi ^a   Lu, Lude ^a  

^a NANJING UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

^b QUFU NORMAL UNIVERSITY   (China)

^c SOUTHWEST PETROLEUM UNIVERSITY   (China)

Author keywords

DFT; Imine compound; NLO; Synthesis; Vibrational spectra

Indexed keywords

4-AMINOPHENOLS; B3LYP/6-31G; DFT; FIRST-ORDER; FT-RAMAN; HOT SPOT; HYPERPOLARIZABILITIES; IMINE COMPOUNDS; INTERMOLECULAR HYDROGEN BONDING; INTRAMOLECULAR HYDROGEN BONDING; MATERIAL SCIENCE; METHANOL SOLUTION; NLO; NON-LINEAR OPTICAL PROPERTIES; NONLINEAR OPTICAL STUDIES; ONE STEP; ORGANICS; POLARIZABILITIES; POTENTIAL APPLICATIONS; SALICYLALDEHYDE; SINGLE CRYSTAL X-RAY DIFFRACTION; THEORETICAL CALCULATIONS; THEORETICAL INVESTIGATIONS; TRANS CONFIGURATION; VIBRATIONAL ANALYSIS;

ALDEHYDES; CONDENSATION REACTIONS; HYDROGEN; HYDROGEN BONDS; METHANOL; NITROGEN COMPOUNDS; OPTICAL PROPERTIES; SINGLE CRYSTALS; VIBRATIONAL SPECTRA; X RAY DIFFRACTION;

SYNTHESIS (CHEMICAL);

BENZALDEHYDE DERIVATIVE; IMINE; N (4 HYDROXY PHENYL) 2 HYDROXYBENZALDEHYDE IMINE; N-(4-HYDROXY-PHENYL)-2-HYDROXYBENZALDEHYDE-IMINE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; INFRARED SPECTROPHOTOMETRY; INFRARED SPECTROSCOPY; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; RAMAN SPECTROMETRY; THEORETICAL MODEL; ULTRAVIOLET SPECTROPHOTOMETRY; VIBRATION; X RAY CRYSTALLOGRAPHY; X RAY DIFFRACTION;

BENZALDEHYDES; CRYSTALLOGRAPHY, X-RAY; IMINES; MAGNETIC RESONANCE SPECTROSCOPY; MODELS, MOLECULAR; MODELS, THEORETICAL; MOLECULAR STRUCTURE; SPECTROPHOTOMETRY, INFRARED; SPECTROPHOTOMETRY, ULTRAVIOLET; SPECTROSCOPY, FOURIER TRANSFORM INFRARED; SPECTRUM ANALYSIS, RAMAN; VIBRATION; X-RAY DIFFRACTION;

EID: 79960206714     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2011.05.003     Document Type: Article

References (49)

1. H. Ünver, A. Karakas, and A. Elmali Journal of Molecular Structure 702 2004 49 54
2. A. Karakas, and H. Ünver Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 75 2010 1492 1496
3. Y. Sun, Q. Hao, W. Wei, Z. Yu, L. Lu, X. Wang, and Y. Wang Journal of Molecular Structure: Theochem 904 2009 74 82
4. Y. Sun, Q. Hao, Z. Yu, W. Wei, L. Lu, and X. Wang Molecular Physics 107 2009 223 235
5. Y. Sun, Q. Hao, W. Wei, Z. Yu, L. Lu, X. Wang, and Y. Wang Journal of Molecular Structure 929 2009 10 21
6. Y. Sun, W. Wei, Q. Hao, L. Lu, and X. Wang Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 73 2009 772 781
7. H. Ünver, A. Karaka, A. Elmali, and T.N. Durlu Journal of Molecular Structure 737 2005 131 137
8. E. Hadjoudis, M. Vittorakis, and I. Moustakali-Mavridis Tetrahedron 43 1987 1345 1360
9. H. Ünver, and T. Nuri Durlu Journal of Molecular Structure 655 2003 369 374
10. Y. Sun, Q. Hao, L. Lu, X. Wang, and X. Yang Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 75 2010 203 211
11. Y. Sun, Q. Hao, Z. Yu, W. Jiang, L. Lu, and X. Wang Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 73 2009 892 901
12. Y. Sun, R. Zhang, D. Ding, S. Liu, B. Wang, Y. Wang, and Y. Lin Structural Chemistry 17 2006 655 665
13. R. Zhang, B. Du, G. Sun, and Y. Sun Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 75 2010 1115 1124
14. R.R.B.N.K. Sethuraman Spectrochimica Acta A 66 2007 707 711
15. J.L. Chambers, K.L. Smith, M.R. Pressprich, and Z. Jin SMART, Bruker Advanced X-ray Solutions, Version 5. 628 2002 Bruker AXS Inc. Madison, WI
16. SAINTPlus, Data Reduction and Correction Program, Version 6.22 2001 Bruker AXS Inc. Madison, WI
17. G.M. Sheldrick SADABS, Program for Empirical Absorption Correction of Area Detector Data 1996 University of Gottingen Germany
18. G.M. Sheldrick SHELXS-97 and SHELXL-97; Programs for Structure Resolution and for Structure Refinement 1997 University of Gottingen Germany
19. G.M. Sheldrick SHELXTL, Structure Determination Software Suite, Version 6.10 2000 Bruker AXS Inc. Madison, WI
20. H. Arslan, O. Algul, and T. Onkol Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 70 2008 606 614
21. M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, J.A. Montgomery Jr., T. Vreven, K.N. Kudin, J.C. Burant, J.M. Millam, S.S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G.A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J.E. Knox, H.P. Hratchian, J.B. Cross, C. Adamo, J. Jaramillo, R. Gomperts, R.E. Stratmann, O. Yazyev, A.J. Austin, R. Cammi, C. Pomelli, J.W. Ochterski, P.Y. Ayala, K. Morokuma, G.A. Voth, P. Salvador, J.J. Dannenberg, V.G. Zakrzewski, S. Dapprich, A.D. Daniels, M.C. Strain, O. Farkas, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J.V. Ortiz, Q. Cui, A.G. Baboul, S. Clifford, J. Cioslowski, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M.W. Wong, C. Gonzalez, and J.A. Pople Gaussian 03W, Version 6. 0 2004 Gaussian Inc. Wallingford, CT
22. R. Dennington II, T. Keith, J. Millam, K. Eppinnett, W. Lee Hovell, and R. Gilliland GaussView, Version 3. 09 2003 Semichem, Inc. Shawnee Mission, KS
23. V. Krishnakumar, G. Keresztury, T. Sundius, and R. Ramasamy Journal of Molecular Structure 702 2004 9 21
24. P.L. Polavarapu Journal of Physical Chemistry 94 1990 8106 8112
25. A. Karakas, A. Elmali, H. Ünver, and I. Svoboda Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 61 2005 2979 2987
26. P.S. Liyanage, R.M. de Silva, and K.M.N. de Silva Journal of Molecular Structure: Theochem 639 2003 195 201
27. P.J. Mendes, J.P.P. Ramalho, A.J.E. Candeias, M.P. Robalo, and M.H. Garcia Journal of Molecular Structure: Theochem 729 2005 109 113
28. I.C. de Silva, R.M. de Silva, and K.M. Nalin De Silva Journal of Molecular Structure: Theochem 728 2005 141 145
29. J.O. Morley Journal of American Chemical Society 110 1988 7660 7663
30. H. Li, K. Han, X. Shen, Z. Lu, Z. Huang, W. Zhang, Z. Zhang, and L. Bai Journal of Molecular Structure: Theochem 767 2006 113 118
31. A.D. Tillekaratne, R.M. de Silva, and K.M.N. de Silva Journal of Molecular Structure: Theochem 638 2003 169 176
32. D. Sajan, H. Joe, V.S. Jayakumar, and J. Zaleski Journal of Molecular Structure 785 2006 43 53
33. H. Alyar, Z. Kantarci, M. Bahat, and E. Kasap Journal of Molecular Structure 2007 2007 516 520
34. N. Sundaraganesan, J. Karpagam, S. Sebastian, and J.P. Cornard Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 73 2009 11 19
35. K.S. Thanthiriwatte, and K.M. Nalin de Silva Journal of Molecular Structure: Theochem 617 2002 169 175
36. C.C. Ersanli, C. Albayrak, M. Odabasoglu, and A. Erdonmez Acta Crystallographica Section E 60 2004 o389 o391
37. M. Dolaz, V. McKee, M. Köse, A. Gölcü, and M. Tümer Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 77 2010 219 225
38. M. Karabacak, E. ahin, M. inar, I. Erol, and M. Kurt Journal of Molecular Structure 886 2008 148 157
39. A.P. Scott, and L. Radom Journal of Physical Chemistry 100 1996 16502 16513
40. J. Swaminathan, M. Ramalingam, V. Sethuraman, N. Sundaraganesan, and S. Sebastian Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 73 2009 593 600
41. L. Guru Prasad, V. Krishnakumar, and R. Nagalakshmi Physica B 405 2010 1652 1657
42. N. Sundaraganesan, H. Saleem, S. Mohan, and M. Ramalingam Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 61 2005 377 385
43. M. Ilic, E. Koglin, A. Pohlmeier, H.D. Narres, and M.J. Schwuger Langmuir 16 2000 8946 8951
44. D. Michalska, D.C. Bienko, A.J. Abkowicz-Bienko, and Z. Latajka The Journal of Physical Chemistry 100 1996 17786 17790
45. G.V. Hartland, B.F. Henson, V.A. Venturo, and P.M. Felker The Journal of Physical Chemistry 96 1992 1164 1173
46. S. Sebastian, N. Sundaraganesan, and S. Manoharan Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 74 2009 312 323
47. H.H. Freedman Journal of American Chemical Society 83 1961 2900 2905
48. C. Ravikumar, I.H. Joe, and V.S. Jayakumar Chemical Physical Letters 460 2008 552 558
49. F.F. Jian, P. Zhao, L. Zhang, and J. Zheng Journal of Fluorine Chemistry 127 2006 63 67