Electronic Structure and Slow Magnetic Relaxation of Low-Coordinate Cyclic Alkyl(amino) Carbene Stabilized Iron(I) Complexes
Тип публикации: Journal Article
Дата публикации: 2014-08-13
scimago Q1
wos Q1
БС1
SJR: 5.489
CiteScore: 24.4
Impact factor: 15.6
ISSN: 00027863, 15205126
PubMed ID:
25072104
General Chemistry
Catalysis
Biochemistry
Colloid and Surface Chemistry
Краткое описание
Cyclic alkyl(amino) carbene stabilized two- and three-coordinate Fe(I) complexes, (cAAC)2FeCl (2) and [(cAAC)2Fe][B(C6F5)4] (3), respectively, were prepared and thoroughly studied by a bouquet of analytical techniques as well as theoretical calculations. Magnetic susceptibility and Mössbauer spectroscopy reveal the +1 oxidation state and S = 3/2 spin ground state of iron in both compounds. 2 and 3 show slow magnetic relaxation typical for single molecule magnets under an applied direct current magnetic field. The high-frequency EPR measurements confirm the S = 3/2 ground state with a large, positive zero-field splitting (∼20.4 cm(-1)) and reveal easy plane anisotropy for compound 2. CASSCF/CASPT2/RASSI-SO ab initio calculations using the MOLCAS program package support the experimental results.
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Samuel P. P. et al. Electronic Structure and Slow Magnetic Relaxation of Low-Coordinate Cyclic Alkyl(amino) Carbene Stabilized Iron(I) Complexes // Journal of the American Chemical Society. 2014. Vol. 136. No. 34. pp. 11964-11971.
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Samuel P. P., Mondal K., Amin Sk N., Roesky H. W., Carl E., Neufeld R., Stalke D., Demeshko S., Meyer F., Ungur L., Chibotaru L. Electronic Structure and Slow Magnetic Relaxation of Low-Coordinate Cyclic Alkyl(amino) Carbene Stabilized Iron(I) Complexes // Journal of the American Chemical Society. 2014. Vol. 136. No. 34. pp. 11964-11971.
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TY - JOUR
DO - 10.1021/ja5043116
UR - https://doi.org/10.1021/ja5043116
TI - Electronic Structure and Slow Magnetic Relaxation of Low-Coordinate Cyclic Alkyl(amino) Carbene Stabilized Iron(I) Complexes
T2 - Journal of the American Chemical Society
AU - Samuel, Prinson P
AU - Mondal, Kartick
AU - Amin Sk, Nurul
AU - Roesky, Herbert W.
AU - Carl, Elena
AU - Neufeld, Roman
AU - Stalke, Dietmar
AU - Demeshko, Serhiy
AU - Meyer, Franc
AU - Ungur, Liviu
AU - Chibotaru, L.F.
PY - 2014
DA - 2014/08/13
PB - American Chemical Society (ACS)
SP - 11964-11971
IS - 34
VL - 136
PMID - 25072104
SN - 0002-7863
SN - 1520-5126
ER -
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@article{2014_Samuel,
author = {Prinson P Samuel and Kartick Mondal and Nurul Amin Sk and Herbert W. Roesky and Elena Carl and Roman Neufeld and Dietmar Stalke and Serhiy Demeshko and Franc Meyer and Liviu Ungur and L.F. Chibotaru},
title = {Electronic Structure and Slow Magnetic Relaxation of Low-Coordinate Cyclic Alkyl(amino) Carbene Stabilized Iron(I) Complexes},
journal = {Journal of the American Chemical Society},
year = {2014},
volume = {136},
publisher = {American Chemical Society (ACS)},
month = {aug},
url = {https://doi.org/10.1021/ja5043116},
number = {34},
pages = {11964--11971},
doi = {10.1021/ja5043116}
}
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MLA
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Samuel, Prinson P., et al. “Electronic Structure and Slow Magnetic Relaxation of Low-Coordinate Cyclic Alkyl(amino) Carbene Stabilized Iron(I) Complexes.” Journal of the American Chemical Society, vol. 136, no. 34, Aug. 2014, pp. 11964-11971. https://doi.org/10.1021/ja5043116.