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Quantum chemical calculations of the isomer shift in iron(II) complexes of 1,2,4-triazoles with a1A1⇔5T2spin transition

✍ Scribed by V. A. Varnek; N. A. Kryuchkova; M. B. Bushuev

Publisher: SP MAIK Nauka/Interperiodica
Year: 2006
Tongue: English
Weight: 284 KB
Volume: 47
Category: Article
ISSN: 0022-4766
DOI: 10.1007/s10947-006-0441-2

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Employmg snmplcs cnrichcd to >90% in 57Fc, hlbssbducr cffcct studlcs dcmonstratc that high-spin (%2) := low-spm ('A1) transitions arc responsible for the peculiar tempcraturc dcpendcncc of the mdgnctlsm in ccrtam [fc(paptH)z ] X2 l nH20 complcxcs where paptH = 2-(2-pyridyhho) -4-(2-pyrldyl)thiai!olc