Standard molar enthalpies of formation of three N-benzoylthiocarbamic-O-alkylesters

Thermochemical studies of three bis(O-alkyl-N-benzoylthiocarbamato)nickel(II) complexes

“…In order to derive the standard molar enthalpies of formation of the crystalline bis(O-alkyl-N-benzoylthiocarbamato)nickel(II) complexes, the following auxiliary quantities, at T ¼ 298: 15 The enthalpy of solution and reaction of the three bis(O-alkyl-N-benzoyl-thiocarbamato)nickel(II) complexes were derived as follows:…”

“…9Þ kJ Á mol À1[15]; D f H m ðHbtcbe; crÞ ¼ Àð364:1 AE 3:0Þ kJ Á mol À1[15]; D f H m ðHbtche; crÞ ¼ Àð411:2 AE 4:0Þ kJ Á mol À1[15].…”

Thermochemical studies on five N-thenoylthiocarbamic-O-n-alkylesters

“…The slope of À10.6 kJ AE mol À1 as the increment in the standard molar enthalpy of formation in the gaseous state due to succeeding CH 2 -group introduction in the alkyl chain is significantly lower than expected by the Allen scheme, which suggests a group energy contribution of [C-(C) 2 (H) 2 ] = À20.5 kJ AE mol À1 . This increment is also slightly lower than the one found for N-benzoylthiocarbamic-O-alkylesters (À14.8 kJ AE mol À1 ), with linear regression coefficients D f H m ðgÞ ¼ Àð14:8 AE 0:9Þ Á nðCÞÀ ð183:2 AE 3:8Þ (R 2 = 0.9991), with the assigned errors corresponding to twice the standard deviation of the mean [4].…”

“…Results of the measurements of the enthalpies of sublimation for the N-thenoylthiocarbamic-O-alkylesters under A full geometry optimization with the B3LYP functional at a 6-311++G(d,p) level of theory was performed for all N-thenoylthiocarbamic-O-n-alkylesters featured here, the recently investigated N-benzoylthiocarbamic-On-alkylester [4] as well as n-alkanes, followed by frequency calculations at the same level of theory. The assigned energy corrections to the total energy are given in the supplementary information, table S6.…”

“…The first reference due to their coordinating properties was published in 1995 [3]. Recently, more attention has been devoted to the thermodynamical properties of these ligand systems [4] as well as to their transition metal complexes [5][6][7]. Despite so, there are no reported values for thermochemical properties of the N-thenoylthiocarbamic-O-alkylesters so far, neither in condensed nor in gaseous phases.…”