SCOPUS 정보 검색 플랫폼 - 논문 보기

메뉴 건너뛰기

Chemical Physics

Volumn 290, Issue 2-3, 2003, Pages 319-336

A theoretical study of the ground and first excited singlet state proton transfer reaction in isolated 7-azaindole - Water complexes

(3) Casadesús, Ricard a Moreno, Miquel a Lluch, José M a

a UNIVERSITAT AUTÒNOMA DE BARCELONA (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

7 AZAINDOLE; HYDROGEN; INDOLE DERIVATIVE; NITROGEN; PROTON; PYRIDINE DERIVATIVE; UNCLASSIFIED DRUG; WATER;

ARTICLE; CALCULATION; COMPLEX FORMATION; GEOMETRY; HYDROGEN BOND; PROTON TRANSPORT; THEORY;

EID: 0037652326 PISSN: 03010104 EISSN: None Source Type: Journal
DOI: 10.1016/S0301-0104(03)00173-3 Document Type: Article

Times cited : (51)

References (68)

1
- 0011672376
- and references therein
- (a) A. Douhal, F. Lahmani, A.H. Zewail, Chem. Phys. 207 (1996) 447, and references therein;
- (1996) Chem. Phys. , vol.207 , pp. 447
- Douhal, A.¹ Lahmani, F.² Zewail, A.H.³

2
- 28144463732
- Hydrogen transfer: Experiment and theory
- (b) H. Limbach, J. Manz (Eds.), Hydrogen Transfer: Experiment and Theory, Ber. Bunsengens. Phys. Chem. 102 (3) (1998).
- (1998) Ber. Bunsengens. Phys. Chem. , vol.102 , Issue.3
- Limbach, H.¹ Manz, J.²

3
- 0033270518
- Proton solvation and proton mobility
- (c) N. Agmon, M. Gutman (Eds.), Proton Solvation and Proton Mobility, Isr. J. Chem. 39 (3/4) (1999).
- (1999) Isr. J. Chem. , vol.39 , Issue.3-4
- Agmon, N.¹ Gutman, M.²

4
- 0003923825
- Elsevier, Amsterdam
- A. Müller, H. Ratajack, W. Junge, E. Diemann (Eds.), Electron and Proton Transfer in Chemistry and Biology, Studies in Physical and Theoretical Chemistry, vol. 78, Elsevier, Amsterdam, 1992.
- (1992) Electron and Proton Transfer in Chemistry and Biology, Studies in Physical and Theoretical Chemistry , vol.78
- Müller, A.¹ Ratajack, H.² Junge, W.³ Diemann, E.⁴

5
- 33751432353
- K.C. Ingham, M. Abu-Elgheit, M.A. El-Bayoumi, J. Am. Chem. Soc. 93 (1971) 5023.
- (1971) J. Am. Chem. Soc. , vol.93 , pp. 5023
- Ingham, K.C.¹ Abu-Elgheit, M.² El-Bayoumi, M.A.³

6
- 0001352205
- R.S. Moog, M. Maroncelli, J. Phys. Chem. 95 (1991) 10359.
- (1991) J. Phys. Chem. , vol.95 , pp. 10359
- Moog, R.S.¹ Maroncelli, M.²

7
- 0000971413
- C.F. Chapman, M. Maroncelli, J. Phys. Chem. 96 (1992) 8430.
- (1992) J. Phys. Chem. , vol.96 , pp. 8430
- Chapman, C.F.¹ Maroncelli, M.²

8
- 33751391903
- P.-T. Chou, M.L. Martinez, W.C. Cooper, D. McMorrow, S.T. Collins, M. Kasha, J. Phys. Chem. 96 (1992) 5203.
- (1992) J. Phys. Chem. , vol.96 , pp. 5203
- Chou, P.-T.¹ Martinez, M.L.² Cooper, W.C.³ McMorrow, D.⁴ Collins, S.T.⁵ Kasha, M.⁶

9
- 0000143591
- Y. Chen, F. Gai, J.W. Petrich, J. Am. Chem. Soc. 115 (1993) 10158.
- (1993) J. Am. Chem. Soc. , vol.115 , pp. 10158
- Chen, Y.¹ Gai, F.² Petrich, J.W.³

10
- 11744290703
- Y. Chen, R.L. Rich, F. Gai, J.W. Petrich, J. Phys. Chem. 97 (1993) 1770.
- (1993) J. Phys. Chem. , vol.97 , pp. 1770
- Chen, Y.¹ Rich, R.L.² Gai, F.³ Petrich, J.W.⁴

11
- 0001185159
- P.-T. Chou, C.-Y. Wei, C.-P. Chang, C.-H. Chiu, J. Am. Chem. Soc. 117 (1995) 7259.
- (1995) J. Am. Chem. Soc. , vol.117 , pp. 7259
- Chou, P.-T.¹ Wei, C.-Y.² Chang, C.-P.³ Chiu, C.-H.⁴

12
- 0029646568
- A. Douhal, S.K. Kim, A.H. Zewail, Nature 378 (1995) 260.
- (1995) Nature , vol.378 , pp. 260
- Douhal, A.¹ Kim, S.K.² Zewail, A.H.³

13
- 0031577244
- R. Lopez-Martens, Pham Long, D. Sogaldi, B. Soep, J. Syage, Ph. Millie, Chem. Phys. Lett. 273 (1997) 219.
- (1997) Chem. Phys. Lett. , vol.273 , pp. 219
- Lopez-Martens, R.¹ Pham Long² Sogaldi, D.³ Soep, B.⁴ Syage, J.⁵ Millie, Ph.⁶

14
- 0031237219
- T. Suzuki, U. Okuyama, T. Ichimura, J. Phys. Chem. A 101 (1997) 7047.
- (1997) J. Phys. Chem. A , vol.101 , pp. 7047
- Suzuki, T.¹ Okuyama, U.² Ichimura, T.³

15
- 0031563668
- S. Takeuchi, T. Tahara, Chem. Phys. Lett. 277 (1997) 340.
- (1997) Chem. Phys. Lett. , vol.277 , pp. 340
- Takeuchi, S.¹ Tahara, T.²

16
- 0031672414
- M. Chachisvilis, T. Fiebig, A. Douhal, A.H. Zewail, J. Phys. Chem. A 102 (1998) 669.
- (1998) J. Phys. Chem. A , vol.102 , pp. 669
- Chachisvilis, M.¹ Fiebig, T.² Douhal, A.³ Zewail, A.H.⁴

17
- 0032539237
- P.-T. Chou, W.-S. Yu, Y.-C. Chen, C.-Y. Wei, S.S. Martinez, J. Am. Chem. Soc. 120 (1998) 12927.
- (1998) J. Am. Chem. Soc. , vol.120 , pp. 12927
- Chou, P.-T.¹ Yu, W.-S.² Chen, Y.-C.³ Wei, C.-Y.⁴ Martinez, S.S.⁵

18
- 0032562322
- D.E. Folmer, L. Poth, E.S. Wisniewski, A.W. Castleman Jr., Chem. Phys. Lett. 287 (1998) 1.
- (1998) Chem. Phys. Lett. , vol.287 , pp. 1
- Folmer, D.E.¹ Poth, L.² Wisniewski, E.S.³ Castleman A.W., Jr.⁴

19
- 0042689290
- S. Takeuchi, T. Tahara, J. Phys. Chem. A 102 (1998) 7740.
- (1998) J. Phys. Chem. A , vol.102 , pp. 7740
- Takeuchi, S.¹ Tahara, T.²

20
- 0033616083
- P.-T. Chou, C.-Y. Wei, G.-R. Wu, W.-S. Chen, J. Am. Chem. Soc. 121 (1999) 12186.
- (1999) J. Am. Chem. Soc. , vol.121 , pp. 12186
- Chou, P.-T.¹ Wei, C.-Y.² Wu, G.-R.³ Chen, W.-S.⁴

21
- 0001175015
- T. Fiebig, M. Chachisvilis, M. Manger, A.H. Zewail, A. Douhal, I. García-Ochoa, A. de la Hoz Ayuso, J. Phys. Chem. A 103 (1999) 7419.
- (1999) J. Phys. Chem. A , vol.103 , pp. 7419
- Fiebig, T.¹ Chachisvilis, M.² Manger, M.³ Zewail, A.H.⁴ Douhal, A.⁵ García-Ochoa, I.⁶ De la Hoz Ayuso, A.⁷

22
- 0033539679
- D.E. Folmer, E.S. Wisniewski, S.M. Hurley, A.W. Castleman Jr., Proc. Natl. Acad. Sci. USA 96 (1999) 12980.
- (1999) Proc. Natl. Acad. Sci. USA , vol.96 , pp. 12980
- Folmer, D.E.¹ Wisniewski, E.S.² Hurley, S.M.³ Castleman A.W., Jr.⁴

23
- 0034321324
- J. Catalán, M. Kasha, J. Phys. Chem. A 104 (2000) 10812.
- (2000) J. Phys. Chem. A , vol.104 , pp. 10812
- Catalán, J.¹ Kasha, M.²

24
- 0002359334
- A. Douhal, M. Moreno, J.M. Lluch, Chem. Phys. Lett. 324 (2000) 81.
- (2000) Chem. Phys. Lett. , vol.324 , pp. 81
- Douhal, A.¹ Moreno, M.² Lluch, J.M.³

25
- 0001697486
- D.E. Folmer, E.S. Wisniewski, A.W. Castleman Jr., Chem. Phys. Lett. 318 (2000) 637.
- (2000) Chem. Phys. Lett. , vol.318 , pp. 637
- Folmer, D.E.¹ Wisniewski, E.S.² Castleman A.W., Jr.³

26
- 0034321106
- D.E. Folmer, E.S. Wisniewski, J.R. Stairs, A.W. Castleman Jr., J. Phys. Chem. A 104 (2000) 10545.
- (2000) J. Phys. Chem. A , vol.104 , pp. 10545
- Folmer, D.E.¹ Wisniewski, E.S.² Stairs, J.R.³ Castleman A.W., Jr.⁴

27
- 0000062004
- S. Takeuchi, T. Tahara, Chem. Phys. Lett. 347 (2001) 108.
- (2001) Chem. Phys. Lett. , vol.347 , pp. 108
- Takeuchi, S.¹ Tahara, T.²

28
- 0018798139
- J. Catalán, P. Pérez, J. Theor. Biol. 81 (1979) 213.
- (1979) J. Theor. Biol. , vol.81 , pp. 213
- Catalán, J.¹ Pérez, P.²

29
- 0001751443
- J. Catalán, O. Mó, P. Pérez, M. Yáñez, Tetrahedron 39 (1983) 2851.
- (1983) Tetrahedron , vol.39 , pp. 2851
- Catalán, J.¹ Mó, O.² Pérez, P.³ Yáñez, M.⁴

30
- 0030570284
- A. Douhal, V. Guallar, M. Moreno, J.M. Lluch, Chem. Phys. Lett. 256 (1996) 370.
- (1996) Chem. Phys. Lett. , vol.256 , pp. 370
- Douhal, A.¹ Guallar, V.² Moreno, M.³ Lluch, J.M.⁴

31
- 33748647672
- M.S. Gordon, J. Phys. Chem. 100 (1996) 3974.
- (1996) J. Phys. Chem. , vol.100 , pp. 3974
- Gordon, M.S.¹

32
- 0032026610
- V. Guallar, M. Moreno, J.M. Lluch, Chem. Phys. 228 (1998) 1.
- (1998) Chem. Phys. , vol.228 , pp. 1
- Guallar, V.¹ Moreno, M.² Lluch, J.M.³

33
- 0000431110
- S. Mente, M. Maroncelli, J. Phys. Chem. A 102 (1998) 3860.
- (1998) J. Phys. Chem. A , vol.102 , pp. 3860
- Mente, S.¹ Maroncelli, M.²

34
- 0033587730
- J. Catalán, J.C. Del Valle, M. Kasha, Proc. Natl. Acad. Sci. USA 96 (1999) 8338.
- (1999) Proc. Natl. Acad. Sci. USA , vol.96 , pp. 8338
- Catalán, J.¹ Del Valle, J.C.² Kasha, M.³

35
- 0001545152
- G.M. Chaban, M.S. Gordon, J. Phys. Chem. A 103 (1999) 185.
- (1999) J. Phys. Chem. A , vol.103 , pp. 185
- Chaban, G.M.¹ Gordon, M.S.²

36
- 0033532901
- A. Fernández-Ramos, Z. Smedarchina, W. Siebrand, M.Z. Zgierski, M.A. Ríos, J. Am. Chem. Soc. 121 (1999) 6280.
- (1999) J. Am. Chem. Soc. , vol.121 , pp. 6280
- Fernández-Ramos, A.¹ Smedarchina, Z.² Siebrand, W.³ Zgierski, M.Z.⁴ Ríos, M.A.⁵

37
- 0033603220
- A.M. Graña, J. Mol. Struct. (THEOCHEM) 466 (1999) 145.
- (1999) J. Mol. Struct. (THEOCHEM) , vol.466 , pp. 145
- Graña, A.M.¹

38
- 0000895582
- V. Guallar, V.S. Batista, W.H. Miller, J. Chem. Phys. 110 (1999) 9922.
- (1999) J. Chem. Phys. , vol.110 , pp. 9922
- Guallar, V.¹ Batista, V.S.² Miller, W.H.³

39
- 0000829709
- J. Catalán, J.C. del Valle, M. Kasha, Chem. Phys. Lett. 318 (2000) 629.
- (2000) Chem. Phys. Lett. , vol.318 , pp. 629
- Catalán, J.¹ Del Valle, J.C.² Kasha, M.³

40
- 0001844766
- A. Douhal, M. Moreno, J.M. Lluch, Chem. Phys. Lett. 324 (2000) 75.
- (2000) Chem. Phys. Lett. , vol.324 , pp. 75
- Douhal, A.¹ Moreno, M.² Lluch, J.M.³

41
- 0034294163
- A. Kyrychenko, Y. Stepanenko, J. Waluk, J. Phys. Chem. A 104 (2000) 9542.
- (2000) J. Phys. Chem. A , vol.104 , pp. 9542
- Kyrychenko, A.¹ Stepanenko, Y.² Waluk, J.³

42
- 0000674775
- Z. Smedarchina, W. Siebrand, A. Fernández-Ramos, L. Gorb, J. Leszczynski, J. Chem. Phys. 112 (2000) 566.
- (2000) J. Chem. Phys. , vol.112 , pp. 566
- Smedarchina, Z.¹ Siebrand, W.² Fernández-Ramos, A.³ Gorb, L.⁴ Leszczynski, J.⁵

43
- 0035335626
- A. Fernández-Ramos, Z. Smedarchina, W. Siebrand, M.Z. Zgierski, J. Chem. Phys. 114 (2001) 7518.
- (2001) J. Chem. Phys. , vol.114 , pp. 7518
- Fernández-Ramos, A.¹ Smedarchina, Z.² Siebrand, W.³ Zgierski, M.Z.⁴

44
- 0035912423
- M. Moreno, A. Douhal, J.M. Lluch, O. Castaño, L.M. Frutos, J. Phys. Chem. A 105 (2001) 3887.
- (2001) J. Phys. Chem. A , vol.105 , pp. 3887
- Moreno, M.¹ Douhal, A.² Lluch, J.M.³ Castaño, O.⁴ Frutos, L.M.⁵

45
- 0035921520
- J.R. Van Hise, Mol. Phys. 99 (2001) 1347.
- (2001) Mol. Phys. , vol.99 , pp. 1347
- Van Hise, J.R.¹

46
- 0038307639
- A. Douhal, J. Santamaría (Eds.), World Scientific, Singapore
- M. Moreno, J.M. Lluch, A. Douhal, in: A. Douhal, J. Santamaría (Eds.), Femtochemistry and Femtobiology, World Scientific, Singapore, 2002, p. 796.
- (2002) Femtochemistry and Femtobiology , pp. 796
- Moreno, M.¹ Lluch, J.M.² Douhal, A.³

47
- 0037197924
- J. Catalán, P. Pérez, J.C. del Valle, J.L.G. de Paz, M. Kasha, Proc. Natl. Acad. Sci. USA 99 (2002) 5793.
- (2002) Proc. Natl. Acad. Sci. USA , vol.99 , pp. 5793
- Catalán, J.¹ Pérez, P.² Del Valle, J.C.³ De Paz, J.L.G.⁴ Kasha, M.⁵

48
- 0037197927
- J. Catalán, P. Pérez, J.C. del Valle, J.L.G. de Paz, M. Kasha, Proc. Natl. Acad. Sci. USA 99 (2002) 5799.
- (2002) Proc. Natl. Acad. Sci. USA , vol.99 , pp. 5799
- Catalán, J.¹ Pérez, P.² Del Valle, J.C.³ De Paz, J.L.G.⁴ Kasha, M.⁵

49
- 4143059000
- A.V. Smirnov, D.S. English, R.L. Rich, J. Lane, L. Teyton, A.W. Schwabacher, S. Luo, R.W. Thornburg, J.W. Petrich, J. Phys. Chem. B 101 (1997) 2758.
- (1997) J. Phys. Chem. B , vol.101 , pp. 2758
- Smirnov, A.V.¹ English, D.S.² Rich, R.L.³ Lane, J.⁴ Teyton, L.⁵ Schwabacher, A.W.⁶ Luo, S.⁷ Thornburg, R.W.⁸ Petrich, J.W.⁹

50
- 0030531811
- A. Douhal, F. Lahmani, A.H. Zewail, Chem. Phys. 207 (1996) 477.
- (1996) Chem. Phys. , vol.207 , pp. 477
- Douhal, A.¹ Lahmani, F.² Zewail, A.H.³

51
- 0347553771
- P.-T. Chou, J. Chin. Chem. Soc. 48 (2001) 651.
- (2001) J. Chin. Chem. Soc. , vol.48 , pp. 651
- Chou, P.-T.¹

52
- 0038646601
- M. Negrerie, F. Gai, J.-C. Lambry, J.-L. Martin, J.W. Petrich, J. Phys. Chem. 115 (1993) 10158.
- (1993) J. Phys. Chem. , vol.115 , pp. 10158
- Negrerie, M.¹ Gai, F.² Lambry, J.-C.³ Martin, J.-L.⁴ Petrich, J.W.⁵

53
- 0030822326
- A. Nakajima, M. Hirano, R. Asumi, K. Kaya, H. Watanabe, C.C. Carter, J.M. Williamson, T.A. Miller, J. Phys. Chem. A 101 (1997) 392.
- (1997) J. Phys. Chem. A , vol.101 , pp. 392
- Nakajima, A.¹ Hirano, M.² Asumi, R.³ Kaya, K.⁴ Watanabe, H.⁵ Carter, C.C.⁶ Williamson, J.M.⁷ Miller, T.A.⁸

54
- 0035909764
- H. Yokoyama, H. Watanabe, T. Omi, S. Ishiuchi, M. Fujii, J. Phys. Chem. A 105 (2001) 9366.
- (2001) J. Phys. Chem. A , vol.105 , pp. 9366
- Yokoyama, H.¹ Watanabe, H.² Omi, T.³ Ishiuchi, S.⁴ Fujii, M.⁵

55
- 33645949559
- M.M. Francl, W.J. Pietro, W.J. Hehre, J.S. Binkley, M.S. Gordon, D.J. DeFrees, J.A. Pople, J. Chem. Phys. 77 (1982) 3654.
- (1982) J. Chem. Phys. , vol.77 , pp. 3654
- Francl, M.M.¹ Pietro, W.J.² Hehre, W.J.³ Binkley, J.S.⁴ Gordon, M.S.⁵ DeFrees, D.J.⁶ Pople, J.A.⁷

56
- 0345491105
- (a) C. Lee, W. Yang, R.G. Parr, Phys. Rev. B 37 (1988) 785;
- (1988) Phys. Rev. B , vol.37 , pp. 785
- Lee, C.¹ Yang, W.² Parr, R.G.³

57
- 0000189651
- (b) A.D. Becke, J. Chem. Phys. 98 (1993) 5648.
- (1993) J. Chem. Phys. , vol.98 , pp. 5648
- Becke, A.D.¹

58
- 0000703066
- J.B. Foresman, M. Head-Gordon, J.A. Pople, M. Frisch, J. Phys. Chem. 96 (1992) 135.
- (1992) J. Phys. Chem. , vol.96 , pp. 135
- Foresman, J.B.¹ Head-Gordon, M.² Pople, J.A.³ Frisch, M.⁴

59
- 0000287603
- M.E. Casida, C. Jamorski, K.C. Casida, D.R. Salahub, J. Chem. Phys. 108 (1998) 4439.
- (1998) J. Chem. Phys. , vol.108 , pp. 4439
- Casida, M.E.¹ Jamorski, C.² Casida, K.C.³ Salahub, D.R.⁴

60
- 0037970376
- R.E. Stratmann, G.E. Scuseria, M.J. Frisch, J. Chem. Phys. 37 (1998) 785.
- (1998) J. Chem. Phys. , vol.37 , pp. 785
- Stratmann, R.E.¹ Scuseria, G.E.² Frisch, M.J.³

61
- 2442481958
- C. Peng, P.Y. Ayala, H.B. Schlegel, M.J. Frisch, J. Comput. Chem. 17 (1996) 49.
- (1996) J. Comput. Chem. , vol.17 , pp. 49
- Peng, C.¹ Ayala, P.Y.² Schlegel, H.B.³ Frisch, M.J.⁴

62
- 0011693858
- University Science Books, Mill Valley, CA
- D.A. McQuarrie, Statsitical Thermodynamics, University Science Books, Mill Valley, CA, 1973.
- (1973) Statsitical Thermodynamics
- McQuarrie, D.A.¹

63
- 0004165224
- Harper Collins, New York, NY
- K.J. Laidler, Chemical Kinetics, third ed., Harper Collins, New York, NY, 1987.
- (1987) Chemical Kinetics, Third Ed.
- Laidler, K.J.¹

64
- 84870538517
- Gaussian Inc., Pittsburgh, PA
- M.J. Frisch et al., Gaussian 98, Gaussian Inc., Pittsburgh, PA, 1998.
- (1998) Gaussian 98
- Frisch, M.J.¹

65
- 0038646599
- L. Brillouin, C. R. Acad. Sci. 46 (1934) 618; J. Phys. 7 (1926) 353.
- (1934) C. R. Acad. Sci. , vol.46 , pp. 618
- Brillouin, L.¹

66
- 0001385047
- L. Brillouin, C. R. Acad. Sci. 46 (1934) 618; J. Phys. 7 (1926) 353.
- (1926) J. Phys. , vol.7 , pp. 353

67
- 0037159435
- O. Vendrell, M. Moreno, J.M. Lluch, J. Chem. Phys. 117 (2002) 7525.
- (2002) J. Chem. Phys. , vol.117 , pp. 7525
- Vendrell, O.¹ Moreno, M.² Lluch, J.M.³

68
- 0033718746
- S. Scheiner, J. Phys. Chem. 104 (2000) 5898.
- (2000) J. Phys. Chem. , vol.104 , pp. 5898
- Scheiner, S.¹

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.