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Volumn 57, Issue 37, 2001, Pages 7883-7892

Electronic absorption spectra of closed and open-shell tetrathiafulvalenes: The first time-dependent density-functional study

(3) Andreu, Raquel a Garín, Javier a Orduna, Jesús a

a CSIC (Spain)

Author keywords

Electronic spectra; Theoretical studies; Thiafulvalenes

Indexed keywords

CATION; SULFUR; TETRATHIAFULVALENE DERIVATIVE;

ABSORPTION SPECTROSCOPY; ANALYTIC METHOD; ARTICLE; CALCULATION; CHEMICAL STRUCTURE; CHROMATOPHORE; DENSITY; ENERGY TRANSFER; EVALUATION; PRIORITY JOURNAL;

EID: 0035840119 PISSN: 00404020 EISSN: None Source Type: Journal
DOI: 10.1016/S0040-4020(01)00766-9 Document Type: Article

Times cited : (59)

References (102)

1
- 5444247176
- (1995) Adv. Heterocycl. Chem. , vol.62 , pp. 249-304
- Garín, J.¹

2
- 0001962102
- (1996) Sulfur Rep. , vol.18 , pp. 1-294
- Schukat, G.¹ Fanghänel, E.²

3
- 0003502895
- Prentice Hall: Englewood Cliffs, NJ
- (1992) Organic Superconductors (Including Fullerenes)
- Williams, J.M.¹ Ferraro, F.R.² Thorn, J.R.³ Carlson, K.D.⁴ Geiser, U.⁵ Wang, H.H.⁶ Kini, A.M.⁷ Whangbo, M.-H.⁸

4
- 4243755623
- (1999) Inorg. Chem. , vol.38 , pp. 6096-6100
- Le Derf, F.¹ Mazari, M.² Mercier, N.³ Levillain, E.⁴ Richomme, P.⁵ Becher, J.⁶ Garín, J.⁷ Orduna, J.⁸ Gorgues, A.⁹ Sallé, M.¹⁰

5
- 0002657172
- Nalwa, H.S., Ed.; Wiley New York
- (1997) Handbook of Organic Conductive Molecules and Polymers , pp. 727-780
- Nakamura, T.¹

6
- 4243953743
- (1994) Chem. Soc. Rev. , vol.23 , pp. 4151
- Jørgensen, T.¹ Hansen, T.K.² Becher, J.³

7
- 0034384402
- (2000) Chem. Soc. Rev. , vol.29 , pp. 153-164
- Nielsen, M.B.¹ Lomholt, C.² Becher, J.³

8
- 0033531052
- (1999) Adv. Mater. , vol.11 , pp. 11-23
- Bryce, M.R.¹

9
- 0034035689
- (2000) J. Mater. Chem. , vol.10 , pp. 589-598
- Bryce, M.R.¹

10
- 0342264588
- (2000) J. Org. Chem. , vol.65 , pp. 1978-1983
- Guldi, D.M.¹ González, S.² Martín, N.³ Antón, A.⁴ Garín, J.⁵ Orduna, J.⁶

11
- 0001005134
- (2000) J. Phys. Chem. A , vol.104 , pp. 4648-4657
- Martín, N.¹ Sánchez, L.² Herranz, M.A.³ Guldi, D.M.⁴

12
- 0034695693
- (2000) Chem. Commun. , pp. 113-114
- Martín, N.¹ Sánchez, L.² Guldi, D.M.³

13
- 0032203174
- (1998) Chem. Rev. , vol.98 , pp. 2527-2547
- Martín, N.¹ Sánchez, L.² Illescas, B.³ Pérez, I.⁴

14
- 0034615679
- (2000) Chem. Commun. , pp. 321-327
- Guldi, D.M.¹

15
- 0032580380
- (1998) Tetrahedron , vol.54 , pp. 4655-4662
- De Lucas, A.I.¹ Martín, N.² Sánchez, L.³ Seoane, C.⁴ Andreu, R.⁵ Garín, J.⁶ Orduna, J.⁷ Alcalá, R.⁸ Villacampa, B.⁹

16
- 0032516354
- (1998) Tetrahedron Lett. , vol.39 , pp. 3269-3272
- González, M.¹ Martín, N.² Segura, J.L.³ Garín, J.⁴ Orduna, J.⁵

17
- 0032554970
- (1998) Tetrahedron Lett. , vol.39 , pp. 3577-3580
- Garín, J.¹ Orduna, J.² Rupérez, J.I.³ Alcalá, R.⁴ Villacampa, B.⁵ Sánchez, C.⁶ Martín, N.⁷ Segura, J.L.⁸ González, M.⁹

18
- 0032541646
- (1998) Tetrahedron , vol.54 , pp. 11651-11658
- Herranz, M.A.¹ Martín, N.² Sánchez, L.³ Garín, J.⁴ Orduna, J.⁵ Alcalá, R.⁶ Villacampa, B.⁷ Sánchez, C.⁸

19
- 0033520992
- (1999) Tetrahedron Lett. , vol.40 , pp. 8599-8602
- González, M.¹ Martín, N.² Segura, J.L.³ Seoane, C.⁴ Garín, J.⁵ Orduna, J.⁶ Alcalá, R.⁷ Sánchez, C.⁸ Villacampa, B.⁹

20
- 0003519459
- (1999) Adv. Phys. Org. Chem. , vol.32 , pp. 121-217
- Wolff, J.J.¹ Wortmann, R.²

21
- 0002813956
- Zyss, J., Ed.; Academic: London
- (1994) Molecular Nonlinear Optics. Materials, Physics, and Devices , pp. 129-200
- Zyss, J.¹ Ledoux, I.² Nicoud, J.-F.³

22
- 0032533083
- (1998) J. Chem. Phys. , vol.109 , pp. 8218-8224
- Stratmann, R.E.¹ Scuseria, G.E.² Frisch, M.J.³

23
- 0003838469
- Wiley-VCH: Weinheim
- (2000) A Chemist's Guide to Density Functional Theory
- Koch, W.¹ Holthausen, M.C.²

24
- 0001518180
- (1999) Mol. Phys. , vol.97 , pp. 859-868
- Tozer, D.J.¹ Amos, R.D.² Handy, N.C.³ Roos, B.O.⁴ Serrano-Andrés, L.⁵

25
- 0033572583
- (1999) Phys. Chem. Chem. Phys. , vol.1 , pp. 5547-5554
- Petiau, M.¹ Fabian, J.² Rosmus, P.³

26
- 0000966387
- (2000) J. Mol. Model. , vol.6 , pp. 177-185
- Fabian, J.¹ Mann, M.² Petiau, M.³

27
- 0035127606
- (2001) J. Mater. Chem. , vol.11 , pp. 374-380
- Moreno-Mañas, M.¹ Pleixats, R.² Andreu, R.³ Garín, J.⁴ Orduna, J.⁵ Villacampa, B.⁶ Levillain, E.⁷ Sallé, M.⁸

28
- 0035970911
- (2001) J. Mol. Struct. (Theochem) , vol.538 , pp. 253-260
- Petiau, M.¹ Fabian, J.²

29
- 0000368320
- (1974) J. Chem. Phys. , vol.60 , pp. 1177-1178
- Klots, C.E.¹ Compton, R.N.² Raaen, V.F.³

30
- 0001467414
- (1979) J. Org. Chem. , vol.44 , pp. 880-882
- Sandman, D.J.¹ Holmes, T.J.² Warner, D.E.³

31
- 0001039336
- (1985) J. Prakt. Chem. , vol.327 , pp. 767-774
- Schukat, G.¹ Fanghänel, E.²

32
- 0031381497
- (1997) Mol. Cryst. Liq. Cryst. , vol.296 , pp. 97-143
- Senga, T.¹ Kamoshida, K.² Kushch, L.A.³ Saito, G.⁴ Inayoshi, T.⁵ Ono, I.⁶

33
- 84936288766
- (1973) Liebigs Ann. Chem. , pp. 310-323
- Hünig, S.¹ Kiesslich, G.² Quast, H.³ Scheutzow, D.⁴

34
- 37049133407
- (1970) J. Chem. Soc., Chem. Commun. , pp. 1453-1454
- Wudl, F.¹ Smith, G.M.² Hufnagel, E.J.³

35
- 0001153901
- (1977) J. Am. Chem. Soc. , vol.99 , pp. 5909-5916
- Engler, E.M.¹ Scott, B.A.² Etemad, S.³ Penney, T.⁴ Patel, V.V.⁵

36
- 33847088001
- (1977) J. Org. Chem. , vol.42 , pp. 768-770
- Wudl, F.¹ Kruger, A.A.² Kaplan, M.L.³ Hutton, R.S.⁴

37
- 0001473579
- (1971) J. Am. Chem. Soc. , vol.93 , pp. 2258-2268
- Coffen, D.L.¹ Chambers, J.Q.² Williams, D.R.³ Garrett, P.E.⁴ Canfield, N.D.⁵

38
- 0003881304
- (1973) J. Electron Spectorsc. , vol.2 , pp. 207-210
- Gleiter, R.¹ Schmidt, E.² Cowan, D.O.³ Ferraris, J.P.⁴

39
- 0000671070
- (1975) Chem. Phys. Lett. , vol.32 , pp. 334-337
- Bennett, B.I.¹ Herman, F.²

40
- 84984067857
- (1982) Int. J. Quantum Chem. , vol.21 , pp. 557-563
- Trsic, M.¹ Laidlaw, W.G.²

41
- 0000691218
- (1971) Int J. Sulfur Chem. , vol.C6 , pp. 109-122
- Zaradnik, R.¹ Carsky, P.² Hünig, S.³ Kiesslich, G.⁴ Scheutzow, D.⁵

42
- 0001017946
- (1975) Ber. Bunsenges. Physik. Chem. , vol.79 , pp. 1218-1226
- Gleiter, R.¹ Kobayashi, M.² Spanget-Larsen, J.³ Ferraris, J.P.⁴ Bloch, A.N.⁵ Bechgaard, K.⁶ Cowan, D.O.⁷

43
- 0000583523
- (1995) J. Mater. Chem. , vol.5 , pp. 1689-1696
- Batsanov, A.S.¹ Bryce, M.R.² Heaton, J.N.³ Moore, A.J.⁴ Skabara, P.J.⁵ Howard, J.A.K.⁶ Ortí, E.⁷ Viruela, P.M.⁸ Viruela, R.⁹

44
- 0003732869
- (1989) J. Comput. Chem. , vol.10 , pp. 20-220
- Stewart, J.J.P.¹

45
- 36849107750
- (1968) J. Chem. Phys. , vol.48 , pp. 1807-1813
- Del Bene, J.¹ Jaffé, H.H.²

46
- 36849107750
- (1968) J. Chem. Phys. , vol.48 , pp. 4050-4055
- Del Bene, J.¹ Jaffé, H.H.²

47
- 0000474420
- Lipkowitz, K. B., Boyd, D. B., Eds.; VCH: New York
- (1991) Reviews in Computational Chemistry , vol.2 , pp. 313-365
- Zerner, M.C.¹

48
- 0000703066
- (1992) J. Phys. Chem. , vol.96 , pp. 135-149
- Foresman, J.B.¹ Head-Gordon, M.² Pople, J.A.³ Frisch, M.J.⁴

49
- 36849104728
- (1967) J. Chem. Phys. , vol.47 , pp. 1735-1747
- Dunning, T.H.¹ McKoy, V.²

50
- 0030570285
- (1996) Chem. Phys. Lett. , vol.256 , pp. 454-464
- Bauernschmitt, R.¹ Ahlrichs, R.²

51
- 21444444464
- (1999) J. Chem. Phys. , vol.111 , pp. 2889-2899
- Adamo, C.¹ Scuseria, G.E.² Barone, V.³

52
- 0000189651
- (1993) J. Chem. Phys. , vol.98 , pp. 5648-5652
- Becke, A.D.¹

53
- 5944261746
- (1986) Phys. Rev. B , vol.33 , pp. 8822-8824
- Perdew, J.P.¹

54
- 2842565972
- (1996) Phys Rev. B , vol.54 , pp. 16533-16539
- Perdew, J.P.¹ Burke, K.² Wang, Y.³

55
- 0001888398
- (1998) Chem. Phys. Lett. , vol.297 , pp. 60-64
- Wiberg, K.B.¹ Stratmann, R.E.² Frisch, M.J.³

56
- 0033138225
- (1999) Synth. Met. , vol.103 , pp. 1991-1992
- Viruela, R.¹ Viruela, P.M.² Pou-Amérigo, R.³ Ortí, E.⁴

57
- 0031251167
- (1997) J. Phys. Chem. A , vol.101 , pp. 8128-8131
- Demiralp, E.¹ Goddard III, W.A.²

58
- 30244493431
- (1997) Spectrochim. Acta A , vol.53 , pp. 1241-1256
- Liu, R.¹ Zhou, X.² Kasmai, H.³

59
- 33751058027
- (1996) J. Phys. Chem. , vol.100 , pp. 8763-8769
- Ma, B.¹ Lii, J.-H.² Schaefer III, H.F.³ Allinger, N.L.⁴

60
- 0001259303
- (1997) Mol. Phys. , vol.92 , pp. 339-352
- Altmann, J.A.¹ Handy, N.C.² Ingamells, V.E.³

61
- 0013096232
- (2000) Chem. Eur. J. , vol.6 , pp. 1199-1213
- Terkia-Derdra, N.¹ Andreu, R.² Sallé, M.³ Levillain, E.⁴ Orduna, J.⁵ Garín, J.⁶ Ortí, E.⁷ Viruela, R.⁸ Pou-Amerigo, R.⁹ Sahraoui, B.¹⁰ Gorgues, A.¹¹ Favard, J.-F.¹² Riou, A.¹³

62
- 0000770135
- (1994) J. Mol. Struct. , vol.317 , pp. 273-277
- Hargittai, I.¹ Brunvoll, J.² Kolonits, M.³ Khodorkovsky, V.⁴

63
- 33748545144
- (1973) Theor. Chim. Acta , vol.28 , pp. 213-222
- Hariharan, P.C.¹ Pople, J.A.²

64
- 26844534384
- (1980) J. Chem. Phys. , vol.72 , pp. 650-654
- Krishnan, R.¹ Binkley, J.S.² Seeger, R.³ Pople, J.A.⁴

65
- 3843146349
- (1993) J. Chem. Phys. , vol.98 , pp. 1358-1371
- Woon, D.E.¹ Dunning T.H., Jr.²

66
- 4143095330
- (1992) J. Chem. Phys. , vol.96 , pp. 6796-6806
- Kendall, R.A.¹ Dunning T.H., Jr.² Harrison, R.J.³

67
- 0029640190
- (1995) J. Am. Chem. Soc. , vol.117 , pp. 8154-8158
- Demilralp, E.¹ Dasgupta, S.² Goddard III, W.A.³

68
- 0000677315
- (1997) J. Phys. Chem. A , vol.101 , pp. 1975-1981
- Demilralp, E.¹ Dasgupta, S.² Goddard III, W.A.³

69
- 0003864024
- (2000) Acta Crystallogr. , vol.C56 , pp. 453-454
- Guioneau, P.¹ Chasseau, D.² Howard, J.A.K.³ Day, P.⁴

70
- 33845185292
- (1989) J. Am. Chem. Soc. , vol.111 , pp. 3108-3109
- Suzuki, T.¹ Yamochi, H.² Srdanov, G.³ Hinkelmann, K.⁴ Wudl, F.⁵

71
- 0009729173
- (1985) Bull. Acad. Sci. USSR , vol.34 , pp. 1934-1936
- Gol'denberg, L.M.¹ Aldoshina, M.Z.² Lyubovskaya, R.N.³ Chibisova, T.A.⁴ Rodionov, V.Ya.⁵ Khodorkovskii, V.Yu.⁶ Neiland, O.Ya.⁷

72
- 0029823457
- (1996) J. Am. Chem. Soc. , vol.118 , pp. 8604-8622
- Horiuchi, S.¹ Yamochi, H.² Saito, G.³ Sakaguchi, K.⁴ Kusunoki, M.⁵

73
- 0003857885
- note

74
- 0032186771
- (1998) J. Phys. Chem. B , vol.102 , pp. 7776-7781
- Huchet, L.¹ Akoudad, S.² Levillain, E.³ Roncali, J.⁴ Emge, A.⁵ Bauerle, P.⁶

75
- 0041031369
- (1999) Chem. Phys. , vol.248 , pp. 263-271
- Zimmer, K.¹ Godicke, B.² Hoppmeier, M.³ Meyer, H.⁴ Schweig, A.⁵

76
- 0001305809
- (1979) Phys. Rev. B , vol.19 , pp. 730-741
- Torrance, J.B.¹ Scott, B.A.² Welber, B.³ Kaufman, K.B.⁴ Seiden, P.E.⁵

77
- 0001232136
- (1978) Bull. Chem. Soc. Jpn , vol.51 , pp. 1041-1046
- Sugano, T.¹ Yakushi, K.² Kuroda, H.³

78
- 0001561838
- (1980) Acta Crystallogr. , vol.B36 , pp. 358-363
- Yakushi, K.¹ Nishimura, S.² Sugano, T.³ Kuroda, H.⁴ Ikemoto, I.⁵

79
- 0001669076
- (1989) Phys. Rev. B , vol.39 , pp. 11387-11397
- Sugano, T.¹ Hayashi, H.² Kinoshita, M.³ Nishikida, K.⁴

80
- 0003796584
- (1988) Phys. Rev. B , vol.37 , pp. 9100-9102
- Sugano, T.¹ Hayashi, H.² Takenouchi, H.³ Nishikida, K.⁴ Urayama, H.⁵ Yamochi, H.⁶ Saito, G.⁷ Kinoshita, M.⁸

81
- 0003866790
- (1988) Bull. Chem. Soc. Jpn , vol.61 , pp. 1115-1119
- Yoshitake, M.¹ Yakushi, K.² Kuroda, H.³ Kobayashi, A.⁴ Kato, R.⁵ Kobayashi, H.⁶

82
- 0041031369
- (1999) Chem. Phys. , vol.248 , pp. 263-271
- Zimmer, K.¹ Gödicke, B.² Hoppmeier, M.³ Meyer, H.⁴ Schweig, A.⁵

83
- 0034604372
- (2000) J. Mol. Struct. (Theochem) , vol.527 , pp. 229-244
- Guan, J.¹ Casida, M.E.² Salahub, D.R.³

84
- 0000136207
- (1999) Chem. Phys. Lett. , vol.302 , pp. 375-382
- Hirata, S.¹ Head-Gordon, M.²

85
- 0000800479
- (1999) J. Chem. Phys. , vol.111 , pp. 8904-8912
- Hirata, S.¹ Lee, T.J.² Head-Gordon, M.³

86
- 0034245727
- (2000) J. Phys. Chem. A , vol.104 , pp. 7484-7491
- Halasinski, T.M.¹ Hudgins, D.M.² Salama, F.³ Allamandola, L.J.⁴ Bally, T.⁵

87
- 0000287603
- (1998) J. Chem. Phys. , vol.108 , pp. 4439-4449
- Casida, M.E.¹ Jamorski, C.² Casida, K.C.³ Salahub, D.R.⁴

88
- 4243590670
- (1994) Chem. Phys. Lett. , vol.223 , pp. 318-322
- Kozlov, M.E.¹ Tanaka, Y.² Tokumoto, M.³ Tani, T.⁴

89
- 58149319230
- (1995) Synth. Met. , vol.70 , pp. 987-988
- Kozlov, M.E.¹ Tanaka, Y.² Tokumoto, M.³ Tani, T.⁴

90
- 0034605474
- (2000) J. Am. Chem. Soc. , vol.122 , pp. 9486-9494
- Spanggaard, H.¹ Prehn, J.² Nielsen, M.B.³ Levillain, E.⁴ Allain, M.⁵ Becher, J.⁶

91
- 0029405540
- (1995) Acta Crystallogr. , vol.C51 , pp. 2356-2362
- Abboud, K.A.¹ Chou, L.-K.² Clevenger, M.B.³ De Oliveira, G.F.⁴ Talham, D.R.⁵

92
- 0001648459
- (1997) Chem. Mater. , vol.9 , pp. 1865-1877
- Liu, H.-L.¹ Chou, L.-K.² Abboud, K.A.³ Ward, B.H.⁴ Fanucci, G.E.⁵ Granroth, G.E.⁶ Canadell, E.⁷ Meisel, M.W.⁸ Talham, D.R.⁹ Tanner, D.B.¹⁰

93
- 84906381525
- (1992) Acta Crystallogr. , vol.C48 , pp. 1558-1560
- Bu, X.¹ Cisarova, I.² Coppens, P.³

94
- 0024986566
- (1990) J. Am. Chem. Soc. , vol.112 , pp. 3302-3307
- Lichtenberger, D.L.¹ Johnston, R.L.² Hinkelmann, K.³ Suzuki, T.⁴ Wudl, F.⁵

95
- 0033612015
- (1999) J. Am Chem. Soc. , vol.121 , pp. 3951-3957
- Ashton, P.R.¹ Balzani, V.² Becher, J.³ Credi, A.⁴ Fyfe, M.C.T.⁵ Mattersteig, G.⁶ Menzer, S.⁷ Nielsen, M.B.⁸ Raymo, F.M.⁹ Stoddart, J.F.¹⁰ Venturi, M.¹¹ Williams, D.J.¹²

96
- 33847088555
- (1977) J. Am. Chem. Soc. , vol.99 , pp. 6631-6639
- Scott, B.A.¹ La Placa, S.J.² Torrance, J.B.³ Silvermann, B.D.⁴ Welber, B.⁵

97
- 0033532691
- (1999) Chem. Commun. , pp. 977-978
- Meier, H.¹ Petermann, R.² Gerold, J.³

98
- 0003995151
- Springer: Berlin
- (1980) Light Absorption of Organic Colorants
- Fabian, J.¹ Hartmann, H.²

99
- 0028302223
- (1994) Synthesis , pp. 489-493
- Garín, J.¹ Orduna, J.² Uriel, S.³ Moore, A.J.⁴ Bryce, M.R.⁵ Wegener, S.W.⁶ Yufit, D.S.⁷ Howard, J.A.K.⁸

101
- 0003869685
- MOS-F V4 (Fujitsu Ltd, 1998)

102
- 0033963034
- (2000) J. Comput.-Aided Mol. Design , vol.14 , pp. 123-134
- Schaftenaar, G.¹ Noordik, J.H.²

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