Temperature effect on the optical spectra of Iron(III) metal complexes exhibiting spin crossover and potential nonlinear optical properties

Journal of Computational Methods in Sciences and Engineering

Volumn 10, Issue 3-6, 2010, Pages 433-449

  Lamère, Jean François ^a   Peyrou, Viviane ^a   Sasaki, Isabelle ^a   Lacroix, Pascal G ^a   Vendier, Laure ^a   Boillot, Marie Laure ^b  

^a LCC LABORATOIRE DE CHIMIE DE COORDINATION   (France)

^b UNIVERSITÉ PARIS SUD   (France)

Author keywords

nonlinear optics; semi empirical methods; Spin crossover; UV vis spectra; ZINDO

Indexed keywords

CHARGE TRANSFER TRANSITIONS; IRON COMPLEX; LOW TEMPERATURES; MAGNETIC BEHAVIOUR; METHOXYMETHYL; MOLECULAR MATERIALS; NLO PROPERTIES; NON-LINEAR OPTICAL PROPERTIES; OPTICAL SPECTRA; POTENTIAL EFFECTS; RED SHIFT; SCHIFF-BASE LIGANDS; SEMI-EMPIRICAL METHODS; SPIN CROSSOVERS; STILBAZOLE; TEMPERATURE DEPENDENCE; TEMPERATURE EFFECTS; UV-VIS SPECTRA; ZINDO;

CHARGE TRANSFER; ETHANE; FUNCTIONAL GROUPS; ION EXCHANGE; IRON COMPOUNDS; LIGANDS; METAL COMPLEXES; OPTICAL MATERIALS; OPTICAL PROPERTIES;

NONLINEAR OPTICS;

EID: 79952746183     PISSN: 14727978     EISSN: None     Source Type: Journal    
DOI: 10.3233/JCM-2010-0332     Document Type: Article

References (89)

1. B.L. Davidov, L.D. Derkacheva, V.V. Dunina, M.E. Zhabotinskii, V.K. Zolin, L.G. Kreneva and M.A. Samokhina, JEPT Lett 12 (1970), 16-17.
2. Special Issue on Optical Nonlinearities in Chemistry, Chem Rev 1 (1994), 94.
3. (a) Nonlinear Optical Properties of Organic Molecules and Crystals; J. Zyss and D.S. Chemla, eds, Academic Press: Orlando, FL, 1987.
4. (b) Molecular Nonlinear Optics; J. Zyss; Academic Press: San Diego, CA, 1994.
5. (c) Nonlinear Optics of Organic Molecules and Polymers; H. S. Nalwa and S. Miyata, Eds.; CRC Press: Boca Raton, FL, 1996.
6. S.K.Kurtz, in Nonlinear OpticalMaterials - Laser Handbook, F.T.Arecchi and E.O. SchultzDubois, eds, NorthHolland, Amsterdam 1 (1972), 923.
7. J.M. Lehn, Supramolecular ChemistryConcepts and Perspectives; VCH, Weinheim, 1995.
8. M.D. Ward, Chem Soc Rev 24 (1995), 121-134.
9. B.J. Coe, Chem Eur J 5 (1999), 2464-2471.
10. B.J. Coe, S. Houbrechts, I. Asselberghs and A. Persoons, Ang Chem Int Ed 38 (1999), 366-369.
11. For a general introduction of nonlinear optics in octupolar geometry see: J. Zyss and I. Ledoux, Chem Rev 94 (1994), 77-105.
12. For more recent reports to illustrate this approach, see for example: (a) R. Kannan, G.S. He, T.C. Lin, P.N. Prasad, R.A. Vaia and L.S. Tan, Chem Mater 6 (2004), 185-194.
13. (b) J. Brunel, O. Mongin, A. Jutand, I. Ledoux, J. Zyss and M. BlanchardDesce, Chem Mater 15 (2003), 4139-4148; and references herein.
14. (c) H. Le Bozec, T. Le Bouder, O. Maury, I. Ledoux and J. Zyss, J Opt A: Pure Appl Opt 4 (2002), S189-S196.
15. (a) G.L. Geoffroy and M.S. Wrighton, Organometallic Photochemistry, Academic Press: New York, 1979.
16. (b) J.P. Collman and L.S.Hegedus, Principles and Applications of Organotransition Metal Chemistry, University Science Books: Mill Valley, CA, 1987.
17. O. Kahn, Molecular Magnetism, VCH Publishers : New York, 1993.
18. S. Di Bella, I. Fragal̀a, I. Ledoux and T.J. Marks, J Am Chem Soc 117 (1995), 9481-9485.
19. (a) F. Averseng, P.G. Lacroix, I. Malfant, N. Ṕerisśe, C. Lepetit and K. Nakatani, Inorg Chem 40 (2001), 3797-3804.
20. (b) O. Margeat, P.G. Lacroix, J.P. Costes, B. Donnadieu, C. Lepetit and K. Nakatani, Inorg Chem 43 (2004), 4743-4750.
21. F. Averseng, C. Lepetit, P.G. Lacroix and J.P. Tuchagues, Chem Mater 12 (2000), 2225-2229.
22. (a) J.F. Ĺetard, S. Montant, P. Guionneau, P. Martin, A. Le Calvez, E. Freysz, D. Chasseau, R. Lapouyade and O. Kahn, Chem Commun (1997), 745-746.
23. (b) J.F. Ĺetard, L. Capes, G. Chastanet, N. Moliner, S. Ĺetard, J.A. Real and O. Kahn, Chem Phys Lett 313 (1999), 115-120.
24. (a) M. Nakano, R. Kishi, N. Nakagawa, S. Ohta, H. Takahashi, S.I. Furukawa, K. Kamada, K. Ohta, B. Champagne, E. Botek, S. Yamada and K. Yamaguchi, J Phys Chem A 110 (2006), 4238-4243.
25. (b) M. Nakano, R. Kishi, S. Ohta, H. Takahashi, T. Kubo, K. Kamada, K. Ohta, E. Botek and B. Champagne, Phys Rev Lett 99 (2007), 033001(1)-033001(4).
26. L. Cambi and L. Szegö, Ber Dtsch Chem Ges 64 (1931), 259-264.
27. For recent reviews devoted to the spin transition phenomenon, see: (a) "Topics in Current Chemistry", Spin Crossover in Transtion Metal Compounds I.III; P. Gütlich and H.A. Goodwin, eds, 2004, vol. 233-235.
28. (b) A. Bousseksou, G. Molnar and G. Matouzenko, Eur J Inorg Chem (2004), 4353.
29. (c) A.B. Gaspar, V. Ksenofontov, M. Seredyuk and P. Gütlich, Coord Chem Rev 249 (2005), 2661-2676.
30. G. Agusti, A.B. Gaspar, M. Carmen Munoz, P.G. Lacroix and A. Real, Aust J Chem 62 (2009), in press.
31. See for example: (a) G.J. Ashwell, P.D. Jackson and W.A. Crossland, Nature 368 (1994), 438-440.
32. (b) K.Z. Wang, C.H. Huang, G.X. Xu, Y. Xu, Q. Liu, D.B. Zhu, X.S. Zhao, X.M. Xie and N.Z. Wu, Chem Mater 6 (1994), 1986-1989.
33. (a) T.J. Marks and M.A. Ratner, Angew Chem Int Ed Engl 34 (1995), 155.
34. (b) D. Li, M.A. Ratner, T.J. Marks, C. Zhang, J Yang and K.G. Wong, J Am Chem Soc 112 (1990), 7389-7390.
35. P.G. Lacroix, R. Cĺement, K. Nakatani, J. Zyss and I. Ledoux, Science 263 (1994), 658-660.
36. (a) S.R. Marder, J.W. Perry and W.P. Schaefer, Sciences 245 (1989), 626-628.
37. (b) S.R. Marder, J.W. Perry and C.P. Yakymyshyn, Chem Mater 6 (1994), 1137-1147 and references therein.
38. (c) B.J. Coe, J.A. Harris, I. Asselberghs, K. Wostyn, K. Clays, A. Persoons, B.S. Brunschwig, S.J. Coles, T. Gelbrich, M.E. Light, M.B. Hurthouse and K. Nakatani, Adv Funct Mater 13 (2003), 347-357.
39. (a) N. Matsumoto, S. Ohta, Y. Ohyoshi, A. Ohyoshi, S. Kohata, H. Okawa and Y. Maeda, J Chem Soc Dalton Trans (1985), 2575-2584.
40. (b) S. Ohta, C. Yoshimura, N. Matsumoto, H. Okawa and A. Ohyoshi, Bull Chem Soc Jpn 59 (1986), 155-159.
41. (c) A. Sour, M.L. Boillot, E. Rivìere and Ph. Lesot, Eur J Inorg Chem (1999), 2117-2119.
42. (d) R. Boca, Y. Fukuda, M. Gembicky, R. Herchel, R. Jarosciak, W. Linert, F. Renz and J. Yuzurihara, Chem Phys Lett 325 (2000), 411-419.
43. (e) S. Hirose, S. Hayami and Y. Maeda, Bull Chem Soc Jpn 73 (2000), 2059-2066.
44. (f) S. Hayami, Y. Hosokoshi, K. Inoue, Y. Einaga, O. Sato and Y. Maeda, Bull Chem Soc Jpn 74 (2001), 2361-2368.
45. T.K. Kung, J Chin Chem Soc 25 (1978), 131-139.
46. R. Andreu, I. Malfant, P.G. Lacroix, H. Gornitzka and K. Nakatani, Chem Mater 11 (1999), 840-848.
47. R.H. Blessing, Acta Cryst A 51 (1995), 33-38.
48. N. Walker and D. Stuart, Acta Cryst A 39 (1983), 158-166.
49. SIR92 - A program for crystal structure solution. A. Altomare, G. Cascarano, C. Giacovazzo and A. Guagliardi, J Appl Crystallogr 26 (1993), 343-350.
50. SHELX97 [Includes SHELXS97, SHELXL97, CIFTAB] - Programs for Crystal Structure Analysis (Release 97-92). G. M. Sheldrick, Institüt für Anorganische Chemie der Universität, Tammanstrasse 4, D3400 Göttingen, Germany, 1998.
51. WINGX - 1.63 Integrated System of Windows Programs for the Solution, Refinement and Analysis of Single Crystal XRay Diffraction Data. L.J. Farrugia, J Appl Crystallogr 32 (1999), 837-848.
52. INTERNATIONAL tables for XRay crystallography, 1974, Vol IV, Kynoch press, Birmingham, England.
53. ORTEP3 for Windows - L.J. Farrugia, J Appl Crystallogr 30 (1997), 565.
54. (a) M.C. Zerner, G. Loew, R. Kirchner and U. MuellerWesterhoff, J Am Chem Soc 102 (1980), 589-599.
55. (b) W.P. Anderson, D. Edwards and M.C. Zerner, Inorg Chem 25 (1986), 2728-2732.
56. ZINDO, release 96.0, Molecular Simulations Inc., Cambridge, U. K., 1996.
57. C. Faulmann, S. Dorbes, B. Garreau de Bonneval, G. Molnar, A. Bousseksou, C.J. GomezGarcia, E. Coronado and L. Valade, Eur J Inorg Chem (2005), 3261-3270.
58. A. Earnshaw, Introduction to Magnetochemistry, Academic Press: London, 1968.
59. E.D. Parker and A. Furst, J Org Chem 23 (1958), 201-203.
60. A.K. Sheinkman, A.N. Kost, V.I. Sheichenko and A.N. Rozenberg, Ukr Khim Zhu 33 (1967), 941-946.
61. G.R. Newkome and J.M. Robinson, Tetrahedron Lett 15 (1974), 691-694.
62. A.E. Siegrist, H.R. Meyer, P. Gassmann and S. Moss, Helv Chim Acta 63 (1980), 1311-1334.
63. This effect is observed on UVvisible spectra recorded at room temperature in the range of concentration 10-2-10-4 mol L-1, and is more pronounced at lower concentrations. (M.L. Boillot, unpublished observation).
64. J. Zyss, J.F. Nicoud and M. Coquillay, J Chem Phys 81 (1984), 4160-4167.
65. I. Malfant, R. Andreu, P.G. Lacroix, C. Faulmann and P. Cassoux, Inorg Chem 37 (1998), 3361-3370.
66. J. Huanwang, W. Xin, H. Zijie, C. Shuying and L. Du, Polyhedron 13 (1994), 1035-1038.
67. G.C. Papavissiliou, G.A. Mousdis, A. Terzis, C.P. Raptopoulou and Z. Naturforsch, B: Chem Sci 58 (2003), 815-816.
68. (a) T.H. Lu, T.J. Lee and K.T. Kuo, J Chin Chem Soc 26 (1979), 53-56.
69. (b) A. Mishra, R.K. Behera, F.R. Fronczek, M. Vidyasagar and G.B. Behera, Indian J Chem, Sect B 38 (1999), 982-985.
70. From the structural data obtained with ferric Schiff base complexes, the average of the metal ligand bond lengths of LS (HS) species is expected to vary as = 1.879-1.895 (1.908-1.939) Å; = 1.930-1.944 (2.081- 2.125) Å; and = 1.999-2.046 (2.173-2.215) Å. These variations span over the range reported for the Schiff base ferric complexes undergoing a spin crossover in the following reports: (a) P.G. Sim, E. Sinn, R.H. Petty, C.L. Merill and L. Wilson, J Inorg Chem 20 (1981), 1213-1222.
71. (b) M.D. Timken, D.N. Hendrickson and E. Sinn, Inorg Chem 24 (1985), 3947-3955.
72. (c) Y. Nishida, K. Kino and S. Kida, J Chem Soc Dalton Trans (1987), 1957-1961.
73. (d) H. Oshio, K. Toriumi, Y. Maeda and Y. Takashima, Inorg Chem 30 (1991), 4252-4260.
74. (e) Y. Maeda, H. Oshio, K. Toriumi and Y. Takashima, J Chem Soc Dalton Trans (1991), 1227-1235.
75. (f) Y. Maeda, Y. Noda, H. Oshio and Y. Takashima, Bull Chem Soc Jpn 65 (1992), 1825-1831.
76. (g) A.J. Conti, R.K. Chadha, K.M. Sena, A.L. Rheinhold and D.N. Hendrickson, Inorg Chem 32 (1993), 2670-2680.
77. see for example: A. Ohyoshi, J. Hondo, N. Matsumoto, S. Ohta and S. Sakamoto, Bull Chem Soc Jpn 59 (1986), 1611-1613.
78. in ref. 12, Chap. 2, pp. 9-29.
79. D.R. Kanis, P.G. Lacroix, M.A. Ratner and T.J. Marks, J Am Chem Soc 116 (1994), 10089-10102.
80. D.W. Bruce, D.A. Dunmur, E. Lalinde, P.M. Maitlis and P. Styring, Liq Cryst 3 (1988), 385-395.
81. M. Bourgault, C. Mountassir, H. Le Bozec, I. Ledoux, G. Pucetti and J. Zyss, J Chem Soc, Chem Commun (1993), 1623-1624.
82. M.J.G. Lesley, A. Woodward, N.J. Taylor, T.B. Marder, I. Cazenobe, I. Ledoux, J. Zyss, A. Thornton and D.W. Bruce, Chem Mater 10 (1998), 1355-1365.
83. H. Le Bozec and T. Renouard, Eur J Inorg Chem (2000), 229-239.
84. (a) E. König, Prog Inorg Chem 35 (1987), 527-622.
85. (b) E. König, Structure and Bonding, Springer-Verlag, Berlin 76 (1991), 53-152.
86. (a) J.L. Oudar and J. Chemla, J Chem Phys 66 (1977), 2664-2668.
87. (b) J.L. Oudar, J Chem Phys 67 (1977), 446-457.
88. N.P. Prasad and D.J. Williams, Introduction to Nonlinear Optical Effects in Molecules and Polymers; Wiley: New York, 1991.
89. G.H. Wagniere, Linear and Nonlinear Optical Properties of Molecules; VCH: New York, 1993.