TY - JOUR
T1 - Substituent Effects on the Spin-Transition Temperature in Complexes with Tris(pyrazolyl) Ligands
AU - Paulsen, Hauke
AU - Duelund, Lars
AU - Zimmermann, Axel
AU - Averseng, Frédéric
AU - Gerdan, Michael
AU - Winkler, Heiner
AU - Toftlund, Hans
AU - Trautwein, Alfred X.
PY - 2003/2/1
Y1 - 2003/2/1
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=0038430806&partnerID=8YFLogxK
U2 - 10.1007/s00706-002-0522-7
DO - 10.1007/s00706-002-0522-7
M3 - Journal articles
AN - SCOPUS:0038430806
SN - 0026-9247
VL - 134
SP - 295
EP - 306
JO - Monatshefte fur Chemie
JF - Monatshefte fur Chemie
IS - 2
ER -
