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. 2020 Oct 15;10(63):38158–38173. doi: 10.1039/d0ra06880b

Compilation of data on molar heat capacities, Inline graphic and heat capacity differences, Inline graphic for tris(β-diketonato)iron(iii) complexes at 298.15 K (in J K−1 mol−1).

Complex Inline graphic a Inline graphic b Inline graphic c Inline graphic b
1 2 3 4 5
Fe(acac)3 429.9 (ref. 55) 65.2 460.9 130.4
Fe(Meacac)3 512.7 77.7 543.7 151.9
Fe(tfac)3 521.4 79.0 552.4 154.2
Fe(hfac)3 654.9 (ref. 55) 99.0 685.9 188.9
Fe(ba)3 608.1 92.0 639.1 176.7
Fe(dbm)3 786.2 118.7 817.2 223.1
Fe(thd)3 887.7 (ref. 55) 133.9 918.7 249.4
a

Calculated by group contribution method by Chickos et al.9,10 with the contributions adjusted for the tris(β-diketonato)iron(iii) complexes derivatives (see text).

b

Calculated according to eqn (4) and (5).

c

Calculated as Inline graphic = Inline graphic + 31 J K−1 mol−1. The contribution of 31 J K−1 mol−1 was derived from experimental data on Inline graphic and Inline graphic for ferrocene15 and was assumed to be valid for tris(β-diketonato)iron(iii) complexes.