Summary
Iron (II) complexes with substituted tris(pyrazolyl) ligands, which exhibit a thermally driven transition from a low-spin state at low temperatures to a high-spin state at elevated temperatures, have been studied by Mössbauer spectroscopy and magnetic susceptibility measurements. From the observed spectra the molar high-spin fraction and the transition temperature have been extracted. All substituents, except for bromine, lead to a decrease of the transition temperature. Density functional calculations have been carried out to compare the experimentally observed shifts of the transition temperature with those derived from theory.
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References
Gütlich P, Hauser H, Spiering H (1994) Angew Chem, Int Ed Engl 33: 2024
Gütlich P, Köppen H, Link R, Steinhäuser HG (1979) J Chem Phys 70: 3977
Winkler H, Trautwein AX, Toftlund H (1992) Hyperfine Interact 70: 1083
Paulsen H, Winkler H, Trautwein AX, Grünsteudel H, Rusanov V, Toftlund H (1999) Phys Rev B 59: 975
Paulsen H, Benda R, Herta C, Schünemann V, Chumakov AI, Duelund L, Winkler H, Toftlund H, Trautwein AX (2001) Phys Rev Lett 86: 1351
Paulsen H, Grünsteudel H, Meyer-Klaucke W, Gerdan M, Winkler H, Toftlund H, Trautwein AX (2001) Eur Phys J B 23: 463
Ding X-Q, Paulsen H, Grodzicki M, Butzlaff Ch, Trautwein AX, Hartung R, Wieghardt K (1994) Hyperfine Interact 90: 485
Paulsen H, Ding X-Q, Grodzicki M, Butzlaff Ch, Trautwein AX, Hartung R, Wieghardt K (1994) Chem Phys 184: 1
Harris D, Loew GH, Kormonicki A (1997) J Phys Chem A 101: 3959
Paulsen H, Duelund L, Winkler H, Toftlund H, Trautwein AX (2001) Inorg Chem 40: 2201
Juliá S, del Mazo JM, Avila L, Elguero J (1984) Organic preparations and procedures int 16: 299
Reger DL, Little CA, Rheingold AL, Lam K-C, Concolino T, Mohan A, Long GJ (2000) Inorg Chem 39: 4674
Anderson PA, Astley T, Hitchman MA, Keene FR, Moubaraki B, Murray KS, Skelton BW, Tiekink ERT, Toftlund H, White AH (2000) J Chem Soc Dalton Trans 3505
Kahn 0 (1993) Molecular Magnetism, VCH Publishers, New York
Perdew JP, Burke K, Wang Y (1996) Phys Rev B 54: 16533
Becke AD (1988) Phys Rev A 38: 3098
Perdew JP (1986) Phys Rev B 33: 8822
Lee C, Yang W, Parr RG (1988) Phys Rev B 37: 785
Miehlich B, Savin A, Stoll H, Preuss H (1989) Chem Phys Lett 157: 200
Becke AD (1993) J Chem Phys 98: 5648
Wachters AJH (1970) J Chem Phys 52: 1033
Hay PJ (1977) J Chem Phys 66: 4377
Dunning Jr TH, Hay PJ (1976) in Modern Theoretical Chemistry, Ed Schaefer III HF, Plenum, New York
Hay PJ, Wadt WR (1985) J Chem Phys 82: 270
Gaussian 98, Revision A7, Frisch MJ, Trucks GW, Schlegel HB, Scuseria GE, Robb MA, Cheeseman JR, Zakrzewski VG, Montgomery Jr JA, Stratmann RE, Burant JC, Dapprich S, Millam JM, Daniels AD, Kudin KN, Strain MC, Farkas O, Tomasi J, Barone V, Cossi M, Cammi R, Mennucci B, Pomelli C, Adamo C, Clifford S, Ochterski J, Petersson GA, Ayala PY, Cui Q, Morokuma K, Malick DK, Rabuck AD, Raghavachari K, Foresman JB, Cioslowski J, Ortiz JV, Baboul AG, Stefanov BB, Liu G, Liashenko A, Piskorz P, Komaromi I, Gomperts R, Martin RL, Fox DJ, Keith T, Al-Laham MA, Peng CY, Nanayakkara A, Gonzalez C, Challacombe M, Gill PMW, Johnson B, Chen W, Wong MW, Andres JL, Gonzalez C, Head-Gordon M, Replogle ES, Pople JA (1998) Gaussian Inc, Pittsburgh PA
Ahlrichs R, Bär M, Häser M, Horn H, Kölmel C (1989) Chem Phys Lett 162: 165
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Paulsen, H. et al. (2003). Substituent Effects on the Spin-Transition Temperature in Complexes with Tris(pyrazolyl) Ligands. In: Linert, W., Verdaguer, M. (eds) Molecular Magnets Recent Highlights. Springer, Vienna. https://doi.org/10.1007/978-3-7091-6018-3_13
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DOI: https://doi.org/10.1007/978-3-7091-6018-3_13
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