DFT, FT-Raman, FT-IR, liquid and solid state NMR studies of 2,6-dimethoxyphenylboronic acid

Vibrational Spectroscopy

Volumn 54, Issue 1, 2010, Pages 1-9

  Alver, Özgür ^a   Parlak, Cemal ^b  

^a ANADOLU UNIVERSITY   (Turkey)

^b DUMLUPINAR UNIVERSITY   (Turkey)

Author keywords

(CP MAS) NMR; 2,6 Dimethoxyphenylboronic acid; DFT; IR and Raman spectra; Vibrational wavenumbers

Indexed keywords

ACIDS; LIGHT POLARIZATION; LIQUIDS; MAGNETIC SHIELDING; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; QUANTUM CHEMISTRY; QUANTUM THEORY; RAMAN SCATTERING; RAMAN SPECTROSCOPY; SPECTROSCOPIC ANALYSIS;

(CP/MAS) NMR; 2,6-DIMETHOXYPHENYLBORONIC ACID; DFT; IR AND RAMAN SPECTRA; VIBRATIONAL WAVENUMBERS;

DENSITY FUNCTIONAL THEORY;

EID: 84962423356     PISSN: 09242031     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.vibspec.2010.05.001     Document Type: Article

References (45)

1. W. Tjarks, A.K.M. Anisuzzaman, L. Liu, S.H. Soloway, R.F. Barth, D.J. Perkins, and D.M. Adams J. Med. Chem. 35 1992 16228
2. Y. Yamamoto Pure Appl. Chem. 63 1991 423
3. F. Alam, A.H. Soloway, R.F. Barth, N. Mafune, D.M. Adam, and W.H. Knoth J. Med. Chem. 32 1989 2326
4. M.R. Stabile Bioorg. Med. Chem. Lett. 21 1996 2501
5. P.R. Westmark, and B.D. Smith J. Pharm. Sci. 85 1996 266
6. N.A. Petasis Aust. J. Chem. 60 2007 795
7. E. Cuthbertson Boronic Acids: Properties and Applications 2006 Alfa Aesar Heysham
8. D.G. Hall, Boronic Acids: Preparation, Applications in Organic Synthesis and Medicine 2005 Wiley-VCH Weinheim
9. A.H. Soloway, and R.G. Fairchild Sci. Am. 262 1990 100
10. X. Chen, G. Liang, D. Whitmire, and J.P. Bowen J. Phys. Org. Chem. 11 1988 378
11. N.C. Handy, P.E. Maslen, R.D. Amos, J.S. Andrews, C.W. Murray, and G.J. Laming Chem. Phys. Lett. 197 1992 506
12. N.C. Handy, C.W. Murray, and R.D. Amos J. Phys. Chem. 97 1993 4392
13. P.J. Stephens, F.J. Devlin, C.F. Chabalowski, and M.J. Frisch J. Phys. Chem. 98 1994 11623
14. F.J. Devlin, J.W. Finley, P.J. Stephens, and M.J. Frisch J. Phys. Chem. 99 1995 16883
15. S.Y. Lee, and B.H. Boo Bull. Korean Chem. Soc. 17 1996 754
16. S.Y. Lee, and B.H. Boo Bull. Korean Chem. Soc. 17 1996 760
17. G. Rauhut, and P. Pulay J. Phys. Chem. 99 1995 3093
18. T. ołek, K. Paradowska, and I. Wawer Solid State Nucl. Magn. Reson. 23 2003 77
19. R. Marek, J. Brus, J. Tousek, L. Kovacs, and D. Hockova Magn. Reson. Chem. 40 2002 353
20. Z. Meng, and W.R. Carper J. Mol. Struct. Theochem. 588 2002 45
21. K. Paradowska, M. Wolniak, M. Pisklak, J.A. Gliński, M.H. Davey, and I. Wawer Solid State Nucl. Magn. Reson. 34 2008 202
22. L. Depature, and G. Surpateanu Spectrochim. Acta A 59 2003 3029
23. Z. Dega-Szafran, A. Katrusiak, and M. Szafran J. Mol. Struct. 785 2006 160
24. H. Dodziuk, O.M. Demchuk, W. Schilf, and G. Dolgonos J. Mol. Struct. 693 2004 145
25. H. Beraldo, W.F. Nacif, and D.X. West Spectrochim. Acta A 57 2001 1847
26. A.A. Abdel-Shafi Spectrochim. Acta A 57 2001 1819
27. A.C. de Dios, and C.J. Jameson Ann. Rep. NMR Spectrosc. 29 1994 1
28. A.C. de Dios Prog. Nucl. Magn. Reson. Spectrosc. 29 1996 229
29. J. Baker, A.A. Jarzecki, and P. Pulay J. Phys. Chem. A 102 1998 1412
30. S. Miertus, E. Scrocco, and J. Tomasi Chem. Phys. 55 1981 117
31. K. Wolinski, J.F. Hinton, and P. Pulay J. Am. Chem. Soc. 112 1990 8251
32. M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, J.A. Montgomery, J.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 03 Revision C.02 2003 Gaussian Inc. Pittsburgh, PA
33. M.K. Cyrański, A. Jezierska, P. Klimentowska, J.J. Panek, and A. Sporzyński J. Phys. Org. Chem. 21 2008 472
34. P.N. Horton, M.B. Hursthouse, M.A. Becket, and M.P.R. Hankey Acta Cryst. E: Struct. Rep. E60 2004 o2204
35. K.L. Bhat, N.J. Howard, H. Rostami, J.H. Lai, and C.W. Bock J. Mol. Struct. (Theochem.) 723 2005 147
36. S.J. Rettig, and J. Trotter Can. J. Chem. 55 1977 3071
37. B. Guillot, and Y. Guissani Fluid Phase Equilib. 150-151 1998 19
38. D. Hür, and A. Güven J. Mol. Struct. (Theochem.) 583 2002 1
39. G. Keresztury, S. Holly, J. Varga, G. Besenyei, A.Y. Wang, and J.R. Durig Spectrochim. Acta A 49A 1993 2007
40. G. Keresztury Raman spectroscopy: theory J.M. Chalmers, P.R. Griffith, Handbook of Vibrational Spectroscopy Vol. 1 2002 John Wiley & Sons Ltd. New York 71 87
41. J.A. Faniran, and H.F. Shurvell Can. J. Chem. 46 1968 2089
42. S.H. Brewer, A.M. Allen, S.E. Lappi, T.L. Chase, K.A. Briggman, C.B. Gorman, and S. Franzen Langmuir 20 2004 5512
43. M. Kurt, T.R. Sertbakan, and M. Özduran Spectrochim. Acta A 70 2008 664
44. Listing of vibrational scaling factors, http://srdata.nist.gov/cccbdb/ vibscalejust.asp.
45. K. Balci, and S. Akyüz Vib. Spectrosc, 48 2008 215