Va. Varnek, SIMPLIFIED FORMULA FOR THE (1)A(1)REVERSIBLE-ARROW-T-5(2) SPIN TRANSITION-TEMPERATURE IN FE(II) COMPLEXES, Journal of structural chemistry, 35(6), 1994, pp. 834-841
A formula relating the (1)A(1) reversible arrow T-5(2) spin transition
temperature (T-c) in Fe(II) complexes to characteristics of the compo
unds is derived. With certain assumptions, T-c is determined by the sp
litting parameter Delta(LS) of e(g)- and t(2g)-orbitals for the low-sp
in complexes and by the frequency ratio of normal vibrations of the lo
w- and high-spin phases. Fbr the group of compounds possessing spilt t
ransitions, the values of Delta(LS) are found and analyzed Correlation
s between T-c and Delta(LS) are established; the values of the change
in the probability of the Mossbauer effect are correlated with those o
f entropy of spin transition. The correlations are substantiated. It i
s concluded that for mononuclear Fe(II) complexes possessing sharp spi
n transitions, T-c may not be significantly higher than for Fe(Phy)(2)
(BF4)(2)(T-c = 282 K).