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Volumn 15, Issue 1, 2009, Pages 79-90

Theoretical studies on the molecular structure and vibrational spectra of some dimethyl substituted pyridine derivatives

(4) Kürkçüoǧlu, Güneş Süheyla a Kavlak, Ilkan a Arslan, Taner a Öǧretir, Cemil a

a ESKISEHIR OSMANGAZI UNIVERSITY (Turkey)

Author keywords

2,3 Dimethylpyridine; 2,4 Dimethylpyridine; 2,6 Dimethylpyridine; 3,4 Dimethylpyridine; 3,5 Dimethylpyridine; DFT; Dimer; Infrared spectra; Monomer

Indexed keywords

2,3 DIMETHYLPYRIDINE; 2,4 DIMETHYLPYRIDINE; 2,6 DIMETHYLPYRIDINE; 3,4 DIMETHYLPYRIDINE; 3,5 DIMETHYLPYRIDINE; DIMER; MONOMER; PYRIDINE DERIVATIVE; UNCLASSIFIED DRUG;

ARTICLE; CHEMICAL STRUCTURE; DENSITY FUNCTIONAL THEORY; DIMERIZATION; GEOMETRY; INFRARED SPECTROSCOPY; PRIORITY JOURNAL; SPECTROSCOPY; VIBRATION;

ANIMALS; DIMERIZATION; MODELS, MOLECULAR; PYRIDINES; SPECTROSCOPY, FOURIER TRANSFORM INFRARED; THERMODYNAMICS;

EID: 56949104789 PISSN: 16102940 EISSN: 09485023 Source Type: Journal
DOI: 10.1007/s00894-008-0368-y Document Type: Article

Times cited : (12)

References (53)

1
- 0021435215
- doi: 10.1021/ja00322a006
- Pongor G, Pulay P, Fogarasi G, Boggs JE (1984) J Am Chem Soc 106:2765. doi: 10.1021/ja00322a006
- (1984) J Am Chem Soc , vol.106 , pp. 2765
- Pongor, G.¹ Pulay, P.² Fogarasi, G.³ Boggs, J.E.⁴

2
- 84986817188
- doi: 10.1002/jrs.1250080314
- Stildham HD, Dilella DP (1979) J Raman Spectrosc 8:180. doi: 10.1002/ jrs.1250080314
- (1979) J Raman Spectrosc , vol.8 , pp. 180
- Stildham, H.D.¹ Dilella, D.P.²

3
- 84986860991
- doi: 10.1002/jrs.1250090408
- Stildham HD, Dilella DP (1980) J Raman Spectrosc 9:247. doi: 10.1002/ jrs.1250090408
- (1980) J Raman Spectrosc , vol.9 , pp. 247
- Stildham, H.D.¹ Dilella, D.P.²

4
- 84986841316
- doi: 10.1002/jrs.1250090407
- Dilella DP (1980) J Raman Spectrosc 9:239. doi: 10.1002/jrs.1250090407
- (1980) J Raman Spectrosc , vol.9 , pp. 239
- Dilella, D.P.¹

5
- 0001458425
- doi: 10.1063/1.1733450
- Zerbi G, Crawford B, Overend J (1963) J Chem Phys 38:127. doi: 10.1063/ 1.1733450
- (1963) J Chem Phys , vol.38 , pp. 127
- Zerbi, G.¹ Crawford, B.² Overend, J.³

6
- 0010884342
- doi: 10.1021/j150668a067
- Wilberg KB, Walters VA, Wong KN, Colson SD (1984) J Phys Chem 88:6067. doi: 10.1021/j150668a067
- (1984) J Phys Chem , vol.88 , pp. 6067
- Wilberg, K.B.¹ Walters, V.A.² Wong, K.N.³ Colson, S.D.⁴

7
- 56949089888
- [A]
- Long DA, George WO (1963) Spectrochim Acta [A] 19:777
- (1963) Spectrochim Acta , vol.19 , pp. 777
- Long, D.A.¹ George, W.O.²

8
- 0001082401
- [A]
- Green JHS, Kynaston W, Paisley HM (1963) Spectrochim Acta [A] 19:549
- (1963) Spectrochim Acta , vol.19 , pp. 549
- Green, J.H.S.¹ Kynaston, W.² Paisley, H.M.³

9
- 49349139922
- [A] doi: 10.1016/0584-8539(77)80136-0
- Gandolfo D, Zarembowitch J (1977) Spectrochim Acta [A] 33:615. doi: 10.1016/0584-8539(77)80136-0
- (1977) Spectrochim Acta , vol.33 , pp. 615
- Gandolfo, D.¹ Zarembowitch, J.²

10
- 0002280688
- doi: 10.1039/jr9630003860
- Spinner E (1963) J Chem Soc 1963:3860. doi: 10.1039/jr9630003860
- (1963) J Chem Soc , vol.1963 , pp. 3860
- Spinner, E.¹

11
- 49549157866
- doi: 10.1016/0584-8539(74)80073-5
- Pfeffer M, Braunstein P, Dehand J (1973) Spectrochim Acta A 30:331. doi: 10.1016/0584-8539(74)80073-5
- (1973) Spectrochim Acta A , vol.30 , pp. 331
- Pfeffer, M.¹ Braunstein, P.² Dehand, J.³

12
- 0001763772
- [A] doi: 10.1016/0584-8539(83)80022-1
- Draeger JA (1983) Spectrochim Acta [A] 39:809. doi: 10.1016/ 0584-8539(83)80022-1
- (1983) Spectrochim Acta , vol.39 , pp. 809
- Draeger, J.A.¹

13
- 51549085761
- Arenas JF, Lopez TI, Otero JC, Marcos JI (1997) J Mol Struct 443:410
- (1997) J Mol Struct , vol.443 , pp. 410
- Arenas, J.F.¹ Lopez, T.I.² Otero, J.C.³ Marcos, J.I.⁴

14
- 0007850322
- Kovacs A (1999) J Mol Struct 397:482
- (1999) J Mol Struct , vol.397 , pp. 482
- Kovacs, A.¹

15
- 0038897388
- doi: 10.1016/S0040-4020(01)87345-2
- Fan K, Boggs JE (1986) Tetrahedron 42:1265. doi: 10.1016/ S0040-4020(01)87345-2
- (1986) Tetrahedron , vol.42 , pp. 1265
- Fan, K.¹ Boggs, J.E.²

16
- 33645073997
- doi: 10.1107/S1600536801017536
- Bond AD, Davies JE (2001) Acta Cryst E 57:1087. doi: 10.1107/ S1600536801017536
- (2001) Acta Cryst E , vol.57 , pp. 1087
- Bond, A.D.¹ Davies, J.E.²

17
- 0345129996
- doi: 10.1016/S0022-2860(98)00541-9
- Arenas JF, Lopez TI, Otero JC, Marcos JI (1999) J Mol Struct 476:139. doi: 10.1016/S0022-2860(98)00541-9
- (1999) J Mol Struct , vol.476 , pp. 139
- Arenas, J.F.¹ Lopez, T.I.² Otero, J.C.³ Marcos, J.I.⁴

18
- 33749360816
- doi: 10.1063/1.441580
- Pulay P, Fogarase G, Boggs JE (1981) J Chem Phys 74:3999. doi: 10.1063/ 1.441580
- (1981) J Chem Phys , vol.74 , pp. 3999
- Pulay, P.¹ Fogarase, G.² Boggs, J.E.³

19
- 49849110537
- doi: 10.1016/0584-8539(70)80154-4
- Green JH, Harrison DJ, Kynaston W, Paisley HM (1970) Spectrochim Acta A Mol Biomol Spectrosc 26:2139. doi: 10.1016/0584-8539(70)80154-4
- (1970) Spectrochim Acta A Mol Biomol Spectrosc , vol.26 , pp. 2139
- Green, J.H.¹ Harrison, D.J.² Kynaston, W.³ Paisley, H.M.⁴

20
- 37049043904
- doi: 10.1039/jr9590001934
- Coulsen E, Cox JD, Herington EFG, Martin JF (1959) J Chem Soc 1934. doi: 10.1039/jr9590001934
- (1959) J Chem Soc , vol.1934
- Coulsen, E.¹ Cox, J.D.² Herington, E.F.G.³ Martin, J.F.⁴

21
- 25044448337
- doi: 10.1016/0009-2614(92)85808-N
- Handy NC, Maslen PE, Amos RD, Andrews JS, Murray CW, Laming GJ (1992) Chem Phys Lett 197:506. doi: 10.1016/0009-2614(92)85808-N
- (1992) Chem Phys Lett , vol.197 , pp. 506
- Handy, N.C.¹ Maslen, P.E.² Amos, R.D.³ Andrews, J.S.⁴ Murray, C.W.⁵ Laming, G.J.⁶

22
- 0005104330
- doi: 10.1021/j100119a023
- Handy NC, Murray CW, Amos RD (1993) J Phys Chem 97:4392. doi: 10.1021/ j100119a023
- (1993) J Phys Chem , vol.97 , pp. 4392
- Handy, N.C.¹ Murray, C.W.² Amos, R.D.³

23
- 33751157732
- doi: 10.1021/j100096a001
- Stephens PJ, Devlin FJ, Chabalowski CF, Frisch MJ (1994) J Phys Chem 98:11623. doi: 10.1021/j100096a001
- (1994) J Phys Chem , vol.98 , pp. 11623
- Stephens, P.J.¹ Devlin, F.J.² Chabalowski, C.F.³ Frisch, M.J.⁴

24
- 33751156362
- doi: 10.1021/j100046a014
- Devlin FJ, Finley JW, Stephens PJ, Frisch MJ (1995) J Phys Chem 99:16883. doi: 10.1021/j100046a014
- (1995) J Phys Chem , vol.99 , pp. 16883
- Devlin, F.J.¹ Finley, J.W.² Stephens, P.J.³ Frisch, M.J.⁴

25
- 18444367412
- Lee SY, Boo BH (1996) Bull Korean Chem Soc 17:754
- (1996) Bull Korean Chem Soc , vol.17 , pp. 754
- Lee, S.Y.¹ Boo, B.H.²

26
- 0001585547
- Lee SY, Boo BH (1996) Bull Korean Chem Soc 17:760
- (1996) Bull Korean Chem Soc , vol.17 , pp. 760
- Lee, S.Y.¹ Boo, B.H.²

27
- 9344269016
- doi: 10.1021/j100010a019
- Rauhut G, Pulay P (1995) J Phys Chem 99:3093. doi: 10.1021/j100010a019
- (1995) J Phys Chem , vol.99 , pp. 3093
- Rauhut, G.¹ Pulay, P.²

28
- 0037893958
- doi: 10.1002/mrc.856
- Osmialowski B, Kolehmainen E, Gawinecki R (2001) Magn Reson Chem 39:334. doi: 10.1002/mrc.856
- (2001) Magn Reson Chem , vol.39 , pp. 334
- Osmialowski, B.¹ Kolehmainen, E.² Gawinecki, R.³

29
- 0141522024
- doi: 10.1002/mrc.1020
- Marek R, Brus J, Tousek J, Kovacs L, IIockova D (2002) Magn Reson Chem 40:353. doi: 10.1002/mrc.1020
- (2002) Magn Reson Chem , vol.40 , pp. 353
- Marek, R.¹ Brus, J.² Tousek, J.³ Kovacs, L.⁴ IIockova, D.⁵

30
- 0037178531
- doi: 10.1016/S0166-1280(02)00116-1
- Meng Z, Carper WR (2002) J Mol Struct Theochem 588:45. doi: 10.1016/ S0166-1280(02)00116-1
- (2002) J Mol Struct Theochem , vol.588 , pp. 45
- Meng, Z.¹ Carper, W.R.²

31
- 0035992549
- [A] doi: 10.1016/S1386-1425(01)00583-2
- Laihia K, Kolehmainen E, Kauppinen R, Lorenc J, Puszko A (2002) Spectrochim Acta [A] 58:1425. doi: 10.1016/S1386-1425(01)00583-2
- (2002) Spectrochim Acta , vol.58 , pp. 1425
- Laihia, K.¹ Kolehmainen, E.² Kauppinen, R.³ Lorenc, J.⁴ Puszko, A.⁵

32
- 0142092722
- [A] doi: 10.1016/S1386-1425(03)00117-3
- Depature L, Surpateanu G (2003) Spectrochim Acta [A] 59:3029. doi: 10.1016/S1386-1425(03)00117-3
- (2003) Spectrochim Acta , vol.59 , pp. 3029
- Depature, L.¹ Surpateanu, G.²

33
- 33644606056
- doi: 10.1016/j.molstruc.2005.08.035
- Dega-Szafran Z, Katrusiak A, Szafran M (2006) Mol Struct 785:160. doi: 10.1016/j.molstruc.2005.08.035
- (2006) Mol Struct , vol.785 , pp. 160
- Dega-Szafran, Z.¹ Katrusiak, A.² Szafran, M.³

34
- 85085634529
- doi:10.1002/(SICI)1097-458X(199902)37:2<103::AID-MRC426>3.0.CO;2-U
- Smith WB (1999) Magn Reson Chem 37:103. doi:10.1002/ (SICI)1097-458X(199902)37:2<103::AID-MRC426>3.0.CO;2-U
- (1999) Magn Reson Chem , vol.37 , pp. 103
- Smith, W.B.¹

35
- 56949089215
- Smith WB (1999) Magn Reson Chem 37:197
- (1999) Magn Reson Chem , vol.37 , pp. 197
- Smith, W.B.¹

36
- 0345491105
- doi: 10.1103/PhysRevB.37.785
- Lee C, Yang W, Parr RG (1988) Phys Rev B 37:785. doi: 10.1103/ PhysRevB.37.785
- (1988) Phys Rev B , vol.37 , pp. 785
- Lee, C.¹ Yang, W.² Parr, R.G.³

37
- 0000189651
- doi: 10.1063/1.464913
- Becke AD (1993) J Chem Phys 98:5648. doi: 10.1063/1.464913
- (1993) J Chem Phys , vol.98 , pp. 5648
- Becke, A.D.¹

38
- 0021435215
- Pongor G, Pulay P, Fogarasi G, Boggs JE (1984) J Am Chem Soc 106:2765
- (1984) J Am Chem Soc , vol.106 , pp. 2765
- Pongor, G.¹ Pulay, P.² Fogarasi, G.³ Boggs, J.E.⁴

39
- 84986847308
- doi: 10.1002/jrs.1250090207
- Dilella DP, Stidham HD (1980) J Raman Spectrosc 9:90-106. doi: 10.1002/ jrs.1250090207
- (1980) J Raman Spectrosc , vol.9 , pp. 90-106
- Dilella, D.P.¹ Stidham, H.D.²

40
- 0003939665
- Academic, New York
- Vansanyi G (1969) Vibrational spectra of Benzene derivatives. Academic, New York
- (1969) Vibrational Spectra of Benzene Derivatives
- Vansanyi, G.¹

41
- 0001735533
- doi: 10.1021/j100029a015
- Arenas JF, Lopez TI, Otero JC, Marcos JI (1995) J Phys Chem 99:11392. doi: 10.1021/j100029a015
- (1995) J Phys Chem , vol.99 , pp. 11392
- Arenas, J.F.¹ Lopez, T.I.² Otero, J.C.³ Marcos, J.I.⁴

42
- 0000988072
- Arenas JF, Lopez TI, Otero JC, Marcos JI (1996) J Phys Chem 100:3199
- (1996) J Phys Chem , vol.100 , pp. 3199
- Arenas, J.F.¹ Lopez, T.I.² Otero, J.C.³ Marcos, J.I.⁴

43
- 0038476407
- doi: 10.1016/S0166-1280(03)00080-0
- Oǧretir C, Tokay N (2003) J Mol Struct Theochem 626:113. doi: 10.1016/S0166-1280(03)00080-0
- (2003) J Mol Struct Theochem , vol.626 , pp. 113
- Oǧretir, C.¹ Tokay, N.²

44
- 0041973356
- doi: 10.1016/S0166-1280(03)00085-X
- Oǧretir C, Tokay N (2003) J Mol Struct Theochem 629:51. doi: 10.1016/S0166-1280(03)00085-X
- (2003) J Mol Struct Theochem , vol.629 , pp. 51
- Oǧretir, C.¹ Tokay, N.²

45
- 56949099492
- Büyümurat Y, Akyüz S (2001) J Mol Struct 545:563
- (2001) J Mol Struct , vol.545 , pp. 563
- Büyümurat, Y.¹ Akyüz, S.²

46
- 0000216409
- doi: 10.1016/0022-2860(95)09127-0
- Awad MK, Habeeb MM (1996) J Mol Struct 378:103. doi: 10.1016/ 0022-2860(95)09127-0
- (1996) J Mol Struct , vol.378 , pp. 103
- Awad, M.K.¹ Habeeb, M.M.²

47
- 56949090738
- Gaussian INC
- Frish A, Trucks GW, Gaussian Users manual, Gaussian INC 2000
- (2000) Gaussian Users Manual
- Frish, A.¹ Trucks, G.W.²

49
- 56949099627
- doi: 10.1107/S1600536802003379
- Bond AD, Davies JE (2002) Acta Cryst E 58:328. doi: 10.1107/ S1600536802003379
- (2002) Acta Cryst E , vol.58 , pp. 328
- Bond, A.D.¹ Davies, J.E.²

50
- 85003470164
- doi: 10.1107/S1600536802013648
- Bond AD, Davies JE (2002) Acta Cryst E 58:961. doi: 10.1107/ S1600536802013648
- (2002) Acta Cryst E , vol.58 , pp. 961
- Bond, A.D.¹ Davies, J.E.²

51
- 3442880044
- doi: 10.1107/S160053680200692X
- Bond AD, Parson S (2002) Acta Cryst E 58:550. doi: 10.1107/ S160053680200692X
- (2002) Acta Cryst E , vol.58 , pp. 550
- Bond, A.D.¹ Parson, S.²

52
- 4243525692
- doi: 10.1107/S1600536801019869
- Bond AD, Davies JE, Kirby AJ (2001) Acta Cryst E 57:1242. doi: 10.1107/ S1600536801019869
- (2001) Acta Cryst E , vol.57 , pp. 1242
- Bond, A.D.¹ Davies, J.E.² Kirby, A.J.³

53
- 56949099359
- doi: 10.1107/S1600536801020426
- Bond AD, Davies JE (2002) Acta Cryst E 58:5. doi: 10.1107/ S1600536801020426
- (2002) Acta Cryst E , vol.58 , pp. 5
- Bond, A.D.¹ Davies, J.E.²

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