Low-temperature lifetimes of metastable high-spin states in spin-crossover and in low-spin iron(II) compounds: The rule and exceptions to the rule

Coordination Chemistry Reviews

Volumn 250, Issue 13-14, 2006, Pages 1642-1652

  Hauser, Andreas ^a   Enachescu, Cristian ^b   Daku, Max Lawson ^a   Vargas, Alfredo ^a   Amstutz, Nahid ^a  

^a UNIVERSITY OF GENEVA   (Switzerland)

^b ALEXANDRU IOAN CUZA UNIVERSITY OF IASI   (Romania)

Author keywords

Density functional theory; Intersystem crossing; Iron(II) bis 2,2 :6 ,2 terpyridine; Iron(II) tris 2,2 bipyridine; Radiationless relaxation; Spin crossover

Indexed keywords

EID: 33745161047     PISSN: 00108545     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ccr.2005.12.006     Document Type: Review

References (63)

1. P. Gütlich, H.A. Goodwin (Eds.), Spin Crossover in Transition Metal Complexes, vols. I-III, Springer, Heidelberg, 2004, Top. Curr. Chem., 233-235.
2. Hoselton M.A., Wilson L.J., and Drago R.S. J. Am. Chem. Soc. 97 (1975) 1722
3. Katz B.A., and Strouse C.E. J. Am. Chem. Soc. 101 (1979) 6214
4. Mikami M., Konno, and Saito Y. Acta Cryst. B 38 (1982) 452
5. Binstead E.A., and Beattie J.K. Inorg. Chem. 25 (1986) 1481
6. Létard J.F., Guionneau P., Rabardel L., Howard J.A.K., Goeta A.E., Chasseau D., and Kahn O. Inorg. Chem. 37 (1998) 4432
7. van Koningsbruggen P., Garcia Y., Kahn O., Fournes L., Kooijman H., Spek A.L., Haasnoot J.G., Moscovici J., Provost K., Michalowicz A., Renz F., and Gütlich P. Inorg. Chem. 39 (2000) 1891
8. Chernyshov D., Hostettler M., Törnroos K.W., and Bürgi H.-B. Angew. Chem. 42 (2003) 3825
9. McCusker J.K., Walda K.N., Dunn R.C., Simon J.D., Magde D., and Hendrickson D.N. J. Am. Chem. Soc. 114 (1992) 6919
10. McCusker J.K., Walda J.N., Dunn R.C., Simon J.D., Magde D., and Hendrickson D.N. J. Am. Chem. Soc. 115 (1993) 298
11. C. Brady, H. Toftlund, J.J. McGarvey, J.K. McCusker, D.N. Hendrickson, in: P. Gütlich, H.A. Goodwin (Eds.), Spin-crossover in Transition Metal Compounds, vol. III, Springer, Berlin, 2004, p. 1, Top. Curr. Chem., 235, and references therein.
12. Lawthers I., and McGarvey J.J. J. Am. Chem. Soc. 106 (1984) 4280
13. McGarvey J.J., and Lawthers I. J. Chem. Soc., Chem. Commun. (1982) 906
14. Beattie J.K. Adv. Inorg. Chem. 32 (1988) 1
15. Decurtins S., Gütlich P., Köhler C.P., Spiering H., and Hauser A. Chem. Phys. Lett. 13 (1984) 1
16. Decurtins S., Gütlich P., Hasselbach K.M., Spiering H., and Hauser A. Inorg. Chem. 24 (1985) 2174
17. Hauser A. Chem. Phys. Lett. 124 (1986) 543
18. Decurtins S., Gütlich P., Koehler C.P., and Spiering H. J. Chem. Soc., Chem. Commun. (1985) 430
19. Moliner N., Gaspar A.B., Munoz M.C., Niel V., Cano J., and Real J.A. Inorg. Chem. 40 (2001) 3986
20. Capes L., Létard J.F., and Kahn O. Chem. Eur. J. 6 (2000) 2246
21. Hayami S., Gu Z., Einaga Y., Kobayashi Y., Ishikawa Y., Yamada Y., Fujishima A., and Sato O. Inorg. Chem. 40 (2001) 3240
22. Herber R.H. Inorg. Chem. 26 (1987) 173
23. Figg D.C., Herber R.H., and Potenza J.A. Inorg. Chem. 31 (1992) 2111
24. Moliner N., Salmon L., Capes L., Munoz M.C., Létard J.F., Bousseksou A., Tuchagues J.P., McGarvey J.J., Dennis A.C., Castro M., Burriel R., and Real J.A. J. Phys. Chem. B 106 (2002) 4276 and many more!
25. Kusz J., Spiering H., and Gütlich P. J. Appl. Cryst. 33 (2000) 201
26. Kusz J., Spiering H., and Gütlich P. J. Appl. Cryst. 34 (2001) 229
27. Niel V., Thompson A.L., Goeta A.E., Enachescu C., Hauser A., Galet A., Muñoz M.C., and Real J.A. Chem. Eur. J. 11 (2005) 2047
28. Kusz J., Schollmeyer D., Spiering H., and Gütlich P. J. Appl. Cryst. 38 (2005) 528
29. Buhks E., Navon G., Bixon M., and Jortner J. J. Am. Chem. Soc. 102 (1980) 2918
30. Xie C.-L., and Hendrickson D.N. J. Am. Chem. Soc. 109 (1987) 6981
31. A. Hauser, in: P. Gütlich, H.A. Goodwin (Eds.), Spin-crossover in Transition Metal Compounds, vol. II, Springer, Berlin, 2004, p. 155, Top. Curr. Chem., 234, and references therein.
32. Wiehl L., Spiering H., Gütlich P., and Knorr K. J. Appl. Cryst. 23 (1990) 151
33. Wiehl L., Kiel G., Köhler C.P., Spiering H., and Gütlich P. Inorg. Chem. 25 (1986) 1565
34. Wiehl L. Acta Cryst. B 49 (1993) 289
35. Donnelly C.J., and Imbusch G.F. In: DiBartolo B. (Ed). NATO ASI B 245 (1991), Plenum Press, New York 175
36. Brunold T.C., and Güdel H.U. In: Solomon E.I., and Lever A.B.P. (Eds). Inorganic Electronic Structure and Spectroscopy vol. I (1999), Wiley, New York 259
37. Struck C.W., and Fonger W.H. Understanding Luminescence Spectra and Efficiencies Using Wp and Related Functions (1991), Springer, Heidelberg
38. Suppan P. Topics in Current Chemistry 163 (1992), Springer, Heidelberg p. 95
39. Barbara P., Meyer T.J., and Ratner M.A. J. Phys. Chem. 100 (1996) 13148
40. Hauser A., Amstutz N., Delahaye S., Schenker S., Sadki A., Sieber R., and Zerara M. In: Schönherr Th. (Ed). Structure and Bonding 106 (2004), Springer, Berlin 81
41. Kirk A.D., Hoggard P.E., Porter G.B., Rockley M.G., and Windsor M.W. Chem. Phys. Lett. 37 (1976) 199
42. Deisenroth S., Hauser A., Spiering H., and Gütlich P. Hyperf. Interact. 93 (1994) 1573
43. Hohenberg P., and Kohn W. Phys. Rev. 136 (1964) B864
44. Kohn W., and Sham L.J. Phys. Rev. 140 (1965) A1133
45. Gunnarsson O., and Lundqvist B.I. Phys. Rev. B 13 (1976) 4274
46. Koch W., and Holthausen M.C. A Chemist's Guide to Density Functional Theory (2000), Wiley/VCH, New York
47. Frisch M.J., Trucks G.W., Schlegel H.B., Scuseria G.E., Robb M.A., Cheeseman J.R., Montgomery Jr. J.A., Vreven T., Kudin K.N., Burant J.C., Millam J.M., Iyengar S.S., Tomasi J., Barone V., Mennucci B., Cossi M., Scalmani G., Rega N., Petersson G.A., Nakatsuji H., Hada M., Ehara M., Toyota K., Fukuda R., Hasegawa J., Ishida M., Nakajima T., Honda Y., Kitao O., Nakai H., Klene M., Li X., Knox J.E., Hratchian H.P., Cross J.B., Bakken V., Adamo C., Jaramillo J., Gomperts R., Stratmann R.E., Yazyev O., Austin A.J., Cammi R., Pomelli C., Ochterski J.W., Ayala P.Y., Morokuma K., Voth G.A., Salvador P., Dannenberg J.J., Zakrzewski V.G., Dapprich S., Daniels A.D., Strain M.C., Farkas O., Malick D.K., Rabuck A.D., Raghavachari K., Foresman J.B., Ortiz J.V., Cui Q., Baboul A.G., Clifford S., Cioslowski J., Stefanov B.B., Liu G., Liashenko A., Piskorz P., Komaromi I., Martin R.L., Fox D.J., Keith T., Al-Laham M.A., Peng C.Y., Nanayakkara A., Challacombe M., Gill P.M.W., Johnson B., Chen W., Wong M.W., Gonzalez C., and Pople J.A. Gaussian 03 (Revision B.03/B.04) (2004), Gaussian, Inc., Wallingford, CT
48. Amsterdam Density Functional Program, Release ADF2004.01, Theoretical Chemistry, Vrije Universiteit, Amsterdam, The Netherlands. http://www.scm.com.
49. te Velde G., Bickelhaupt F.M., Baerends E.J., Fonseca Guerra C., van Gisbergen S.J.A., Snijders J.G., and Ziegler T. J. Comp. Chem. 22 (2001) 931
50. Lawson Daku M.L., Vargas A., Hauser A., Fouqueau A., and Casida M.E. Chem. Phys. Chem. 6 (2005) 1393
51. Dick S. Z. Kristallogr.: New Cryst. Struct. 213 (1998) 356
52. Fouqueau A., Mer S., Casida M.E., Lawson Daku L.M., Hauser A., Minerva T., and Neese F. J. Chem. Phys. 120 (2004) 9473
53. Fouqueau A., Casida M.E., Lawson Daku L.M., Hauser A., and Neese F. J. Chem. Phys. 122 (2005) 044110
54. Renz F., Oshio H., Spiering H., Ksenofotnov V., Waldeck M., Spiering H., and Gütlich P. Angew. Chem. Int. Ed. 39 (2000) 3699
55. Oshio H., Spiering H., Ksenofotnov V., Renz F., and Gütlich P. Inorg. Chem. 40 (2001) 1143
56. Baker A.T., and Goodwin H.A. Aust. J. Chem. 38 (1985) 207
57. Avouris P., Gelbart W.M., and El-Sayed M.A. Chem. Rev. 77 (1977) 793
58. Vef A., Manthe U., Gütlich P., and Hauser A. J. Chem. Phys. 101 (1994) 9326
59. M. Lawson, A. Hauser, in preparation.
60. Empirical relation derived numerically, approximately valid for large values of S.
61. Jeftic J., and Hauser A. J. Phys. Chem. B 101 (1997) 10262
62. Hauser A., Adler J., and Gütlich P. Chem. Phys. Lett. 152 (1988) 468
63. U. Oetliker, program platform for optical spectroscopy, Geneva 1998.