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Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 132, Issue , 2014, Pages 183-190

Effects of donor-acceptor groups on the structural and electronic properties of 4-(methoxymethyl)-6-methyl-5-nitro-2-oxo-1,2-dihydropyridine-3- carbonitrile

(4) Gümüş, Hacer Pir a Tamer, Ömer a Avci, Davut a Atalay, Yusuf a

a SAKARYA UNIVERSITY (Turkey)

Author keywords

4 (Methoxymethyl) 6 methyl 5 nitro 2 oxo 1,2 dihydropyridine 3 carbonitrile; Conformational analysis; HF and DFT calculations; NBO and NLO analysis

Indexed keywords

CALCULATIONS; CHEMICAL BONDS; CHEMICAL SHIFT; DENSITY FUNCTIONAL THEORY; MOLECULAR ORBITALS; MOLECULES; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PYRIDINE; X RAY DIFFRACTION;

CONFORMATIONAL ANALYSIS; FRONTIER MOLECULAR ORBITAL ENERGIES; HARMONIC VIBRATIONAL WAVENUMBERS; HF AND DFT CALCULATIONS; METHOXYMETHYL; NBO AND NLO ANALYSIS; NUCLEAR MAGNETIC RESONANCE CHEMICAL SHIFTS; STRUCTURAL AND ELECTRONIC PROPERTIES;

ELECTRONIC PROPERTIES;

4-(METHOXYMETHYL)-6-METHYL-5-NITRO-2-OXO-1,2-DIHYDROPYRIDINE-3-CARBONITRILE; NITRILE; PYRIDINE DERIVATIVE;

CHEMISTRY; CONFORMATION; ELECTRICITY; ELECTRON; INFRARED SPECTROSCOPY; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; THERMODYNAMICS;

ELECTRICITY; ELECTRONS; MAGNETIC RESONANCE SPECTROSCOPY; MOLECULAR CONFORMATION; NITRILES; PYRIDINES; SPECTROSCOPY, FOURIER TRANSFORM INFRARED; THERMODYNAMICS;

EID: 84901439855 PISSN: 13861425 EISSN: None Source Type: Journal
DOI: 10.1016/j.saa.2014.04.128 Document Type: Article

Times cited : (25)

References (47)

1
- 77949457312
- M. Cetina, M. Tranfic, I. Sviben, and M. Jukic J. Mol. Struct. 969 2010 25 32
- (2010) J. Mol. Struct. , vol.969 , pp. 25-32
- Cetina, M.¹ Tranfic, M.² Sviben, I.³ Jukic, M.⁴

2
- 0037061621
- P.S. Dragovich, T.J. Prins, R. Zhou, E.L. Brown, F.C. Maldonado, S.A. Fuhrman, L.S. Zalman, T. Tuntland, C.A. Lee, A.K. Patick, D.A. Matthews, T.F. Hendrickson, M.B. Kosa, B. Liu, M.R. Batugo, J.P.R. Gleeson, S.K. Sakata, L. Chen, M.C. Guzman, J.W. Meador, R.A. Ferre, and S.T. Worland J. Med. Chem. 45 2002 1607 1623
- (2002) J. Med. Chem. , vol.45 , pp. 1607-1623
- Dragovich, P.S.¹ Prins, T.J.² Zhou, R.³ Brown, E.L.⁴ Maldonado, F.C.⁵ Fuhrman, S.A.⁶ Zalman, L.S.⁷ Tuntland, T.⁸ Lee, C.A.⁹ Patick, A.K.¹⁰ Matthews, D.A.¹¹ Hendrickson, T.F.¹² Kosa, M.B.¹³ Liu, B.¹⁴ Batugo, M.R.¹⁵ Gleeson, J.P.R.¹⁶ Sakata, S.K.¹⁷ Chen, L.¹⁸ Guzman, M.C.¹⁹ Meador, J.W.²⁰ Ferre, R.A.²¹ Worland, S.T.²² more..

3
- 0342646918
- Q. Li, L.A. Mitscher, and L.L. Shen Med. Res. Rev. 20 2000 231 293
- (2000) Med. Res. Rev. , vol.20 , pp. 231-293
- Li, Q.¹ Mitscher, L.A.² Shen, L.L.³

4
- 37049080638
- R.J. Cox, and D.J. O'Hagan Chem. Soc. Perkin Trans. 1 1991 2537 2540
- (1991) Chem. Soc. Perkin Trans. , vol.1 , pp. 2537-2540
- Cox, R.J.¹ O'Hagan, D.J.²

5
- 0037060908
- P.S. Dragovich, T.J. Prins, R. Zhou, T.O. Johnson, E.L. Brown, F.C. Maldonado, S.A. Fuhrman, L.S. Zalman, A.K. Patick, D.A. Matthews, X. Hou, J.W. Meador, R.A. Ferre, and S.T. Worland Bioorg. Med. Chem. Lett. 12 2002 733 738
- (2002) Bioorg. Med. Chem. Lett. , vol.12 , pp. 733-738
- Dragovich, P.S.¹ Prins, T.J.² Zhou, R.³ Johnson, T.O.⁴ Brown, E.L.⁵ Maldonado, F.C.⁶ Fuhrman, S.A.⁷ Zalman, L.S.⁸ Patick, A.K.⁹ Matthews, D.A.¹⁰ Hou, X.¹¹ Meador, J.W.¹² Ferre, R.A.¹³ Worland, S.T.¹⁴

6
- 0025354288
- W.K. Anderson, D.C. Dean, and T.J. Endo Med. Chem. 33 1990 1667 1675
- (1990) Med. Chem. , vol.33 , pp. 1667-1675
- Anderson, W.K.¹ Dean, D.C.² Endo, T.J.³

7
- 20344380909
- J.N. Heo, Y.S. Song, and B.T. Kim Tetrahedron Lett. 46 2005 4621 4625
- (2005) Tetrahedron Lett. , vol.46 , pp. 4621-4625
- Heo, J.N.¹ Song, Y.S.² Kim, B.T.³

8
- 0035961055
- D.L. Comins, and J.M. Nolan Org. Lett. 3 2001 4255 4257
- (2001) Org. Lett. , vol.3 , pp. 4255-4257
- Comins, D.L.¹ Nolan, J.M.²

9
- 0001180099
- 469-422
- R.K. Beckman, J.C. Potenza, and E.J. Enholm J. Org. Chem. 52 1987 469-422
- (1987) J. Org. Chem. , vol.52
- Beckman, R.K.¹ Potenza, J.C.² Enholm, E.J.³

10
- 0033618568
- E.L. Presti, R. Boggia, A. Feltrin, G. Menozzi, P. Dorigo, and L. Mosti Farmaco 54 1999 465 474
- (1999) Farmaco , vol.54 , pp. 465-474
- Presti, E.L.¹ Boggia, R.² Feltrin, A.³ Menozzi, G.⁴ Dorigo, P.⁵ Mosti, L.⁶

11
- 0030909302
- P. Dorigo, D. Fraccarolo, R.M. Gaion, G. Santostasi, P.A. Borea, M. Floreani, L. Mosti, and I. Maragno Gen. Pharm. 28 1997 781 788
- (1997) Gen. Pharm. , vol.28 , pp. 781-788
- Dorigo, P.¹ Fraccarolo, D.² Gaion, R.M.³ Santostasi, G.⁴ Borea, P.A.⁵ Floreani, M.⁶ Mosti, L.⁷ Maragno, I.⁸

12
- 0034091269
- C. Altomare, S. Cellamare, L. Summo, P. Fossa, L. Mosti, and A. Carotti Bioorg. Med. Chem. 8 2000 909 916
- (2000) Bioorg. Med. Chem. , vol.8 , pp. 909-916
- Altomare, C.¹ Cellamare, S.² Summo, L.³ Fossa, P.⁴ Mosti, L.⁵ Carotti, A.⁶

13
- 0032918170
- E. De Clercq Il Farmaco 54 1999 26 45
- (1999) Il Farmaco , vol.54 , pp. 26-45
- De Clercq, E.¹

14
- 0035897124
- R.L.T. Parreira, O. Abrahao, and S.E. Galembeck Tetrahedron 57 2001 3243 3253
- (2001) Tetrahedron , vol.57 , pp. 3243-3253
- Parreira, R.L.T.¹ Abrahao, O.² Galembeck, S.E.³

15
- 0023945573
- P. Deshang, J.A. Cipollina, and N.K. Lowmoster J. Org. Chem. 53 1988 1356 1364
- (1988) J. Org. Chem. , vol.53 , pp. 1356-1364
- Deshang, P.¹ Cipollina, J.A.² Lowmoster, N.K.³

16
- 0001240974
- K. Seibold, G. Wagniere, and H. Labhard Helv. Chim. Acta 52 1969 789 796
- (1969) Helv. Chim. Acta , vol.52 , pp. 789-796
- Seibold, K.¹ Wagniere, G.² Labhard, H.³

17
- 0030472098
- D.L. Comins, and J.K. Saha J. Org. Chem. 61 1996 9623 9624
- (1996) J. Org. Chem. , vol.61 , pp. 9623-9624
- Comins, D.L.¹ Saha, J.K.²

18
- 0000189651
- A.D. Becke J. Chem. Phys. 98 1993 5648 5652
- (1993) J. Chem. Phys. , vol.98 , pp. 5648-5652
- Becke, A.D.¹

19
- 0345491105
- C. Lee, W. Yang, and R.G. Parr Phys. Rev. B 37 1988 785 789
- (1988) Phys. Rev. B , vol.37 , pp. 785-789
- Lee, C.¹ Yang, W.² Parr, R.G.³

21
- 0003422992
- Gaussian Inc Pittsburgh, PA, USA
- J.B. Foresman, and E. Frisch Exploring Chemistry with Electronic Structure Methods 1993 Gaussian Inc Pittsburgh, PA, USA
- (1993) Exploring Chemistry with Electronic Structure Methods
- Foresman, J.B.¹ Frisch, E.²

22
- 64149117293
- D. AvcI, and Y. Atalay Struct. Chem. 20 2009 185 201
- (2009) Struct. Chem. , vol.20 , pp. 185-201
- Avci, D.¹ Atalay, Y.²

23
- 53949116742
- Y. Atalay, D. AvcI, and A. Basoglu Spectrochim. Acta Part A Mol. Biomol. Spectrosc. 71 2008 760 765
- (2008) Spectrochim. Acta Part A Mol. Biomol. Spectrosc. , vol.71 , pp. 760-765
- Atalay, Y.¹ Avci, D.² Basoglu, A.³

24
- 0009140209
- M.R. Del Giudice, G. Settimj, and M. Delfini Tetrahedron 40 1984 4067 4080
- (1984) Tetrahedron , vol.40 , pp. 4067-4080
- Del Giudice, M.R.¹ Settimj, G.² Delfini, M.³

25
- 36749116113
- A.E. Reed, and F.J. Weinhold Chem. Phys. 78 1993 4066 4073
- (1993) Chem. Phys. , vol.78 , pp. 4066-4073
- Reed, A.E.¹ Weinhold, F.J.²

26
- 84867233334
- Ö. Tamer, B. SarIboǧa, and İ. Uçar Struct. Chem. 23 2012 659 670
- (2012) Struct. Chem. , vol.23 , pp. 659-670
- Tamer, O.¹ Sariboǧa, B.² Uçar, I.³

27
- 84926111067
- Cambridge University Press Cambridge
- F. Weinhold, and C. Landis Valency and Bonding: A Natural Bond Orbital Donor-Acceptor Perspective 2005 Cambridge University Press Cambridge
- (2005) Valency and Bonding: A Natural Bond Orbital Donor-Acceptor Perspective
- Weinhold, F.¹ Landis, C.²

28
- 84877838597
- H. Pir, N. Günay, Ö. Tamer, D. AvcI, and Y. Atalay Spectrochim. Acta A 112 2013 331 342
- (2013) Spectrochim. Acta A , vol.112 , pp. 331-342
- Pir, H.¹ Günay, N.² Tamer, Ö.³ Avci, D.⁴ Atalay, Y.⁵

29
- 84901443999
- H. Pir, N. Günay, Ö. Tamer, D. AvcI, E. Tarcan, and Y. Atalay Mater. Sci-Pol. 31 2013 357 371
- (2013) Mater. Sci-Pol. , vol.31 , pp. 357-371
- Pir, H.¹ Günay, N.² Tamer, Ö.³ Avci, D.⁴ Tarcan, E.⁵ Atalay, Y.⁶

30
- 1642492928
- J. Chocholousova, V.V. Spirko, and P. Hobza Phys. Chem. Chem. Phys. 6 2000 37 41
- (2000) Phys. Chem. Chem. Phys. , vol.6 , pp. 37-41
- Chocholousova, J.¹ Spirko, V.V.² Hobza, P.³

31
- 84866392431
- H. Pir, N. Gunay, D. AvcI, and Y. Atalay Spectrochim. Acta A 96 2012 916 924
- (2012) Spectrochim. Acta A , vol.96 , pp. 916-924
- Pir, H.¹ Gunay, N.² Avci, D.³ Atalay, Y.⁴

32
- 0346948866
- K. Fukui Science 218 1982 747 754
- (1982) Science , vol.218 , pp. 747-754
- Fukui, K.¹

33
- 78650686058
- B. Kosar, and C. Albayrak Spectrochim. Acta A 78 2011 160 167
- (2011) Spectrochim. Acta A , vol.78 , pp. 160-167
- Kosar, B.¹ Albayrak, C.²

34
- 0001446453
- R.G. Pearson Proc. Natl. Acad. Sci. 83 1986 8440 8441
- (1986) Proc. Natl. Acad. Sci. , vol.83 , pp. 8440-8441
- Pearson, R.G.¹

35
- 38349075671
- D. AvcI, H. Cömert, and Y. Atalay J. Mol. Model. 14 2008 161 169
- (2008) J. Mol. Model. , vol.14 , pp. 161-169
- Avci, D.¹ Cömert, H.² Atalay, Y.³

36
- 0000625078
- O. Christiansen, J. Gauss, and J.F. Stanton Chem. Phys. Lett. 305 1999 147 155
- (1999) Chem. Phys. Lett. , vol.305 , pp. 147-155
- Christiansen, O.¹ Gauss, J.² Stanton, J.F.³

37
- 0004054170
- Benjamin New York
- N. Bloembergen Nonlinear Optics 1965 Benjamin New York
- (1965) Nonlinear Optics
- Bloembergen, N.¹

38
- 0003002210
- N.F. Lane Rev. Mod. Phys. 52 1980 29 119
- (1980) Rev. Mod. Phys. , vol.52 , pp. 29-119
- Lane, N.F.¹

39
- 0003522858
- Plenum New York
- G. Birnbaum Phenomena Induced by Intermolecular Interactions 1980 Plenum New York
- (1980) Phenomena Induced by Intermolecular Interactions
- Birnbaum, G.¹

40
- 0034249847
- G. Maroulis J. Chem. Phys. 113 2000 1813 1820
- (2000) J. Chem. Phys. , vol.113 , pp. 1813-1820
- Maroulis, G.¹

41
- 0004157499
- Oxford University Press Oxford
- R.F.W. Bader Atoms in Molecules: A Quantum Theory 1990 Oxford University Press Oxford
- (1990) Atoms in Molecules: A Quantum Theory
- Bader, R.F.W.¹

42
- 0034254984
- R.F. Nalewajski, and R.G. Parr Proc. Natl. Acad. Sci. 97 2000 8879 8882
- (2000) Proc. Natl. Acad. Sci. , vol.97 , pp. 8879-8882
- Nalewajski, R.F.¹ Parr, R.G.²

43
- 11644266970
- R.S. Mulliken J. Chem. Phys. 23 1955 1833 1840
- (1955) J. Chem. Phys. , vol.23 , pp. 1833-1840
- Mulliken, R.S.¹

44
- 36148995600
- A.E. Reed, R.B. Weinstock, and F. Weinhold J. Chem. Phys. 83 1985 735 746
- (1985) J. Chem. Phys. , vol.83 , pp. 735-746
- Reed, A.E.¹ Weinstock, R.B.² Weinhold, F.³

45
- 36549103221
- A.E. Reed, and F. Weinhold J. Chem. Phys. 83 1985 1736 1740
- (1985) J. Chem. Phys. , vol.83 , pp. 1736-1740
- Reed, A.E.¹ Weinhold, F.²

46
- 0011083499
- A.E. Reed, L.A. Curtiss, and F. Weinhold Chem. Rev. 88 1988 899 926
- (1988) Chem. Rev. , vol.88 , pp. 899-926
- Reed, A.E.¹ Curtiss, L.A.² Weinhold, F.³

47
- 67349203543
- V. Mukherjee, N.P. Singh, and R.A. Yadav Spectrochim. Acta A 73 2009 249 256
- (2009) Spectrochim. Acta A , vol.73 , pp. 249-256
- Mukherjee, V.¹ Singh, N.P.² Yadav, R.A.³

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