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The reaction of bis-pyrimidine (intermediate-II) with corresponding substituted aldehyde resulted in the formation of title compounds (q1 q20).
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Eventually, the standard molar enthalpy of formation of the title complex was calculated as −(2389.92 ± 2.53) kJ mol−1 by the Hess thermochemical cycle.
Finally, the standard molar enthalpy of formation of the title compound was derived to be ΔfHm°[(C2H10N2 2(ZnCl4)Cl2,s]="−(1514.4±2.7) kJ mol−1 in accordance with Hess law.
Then, reaction of the later compounds with propargyl bromide followed by azide alkyne cycloaddition reaction (click reaction) led to the formation of the title compounds in good yields.
Eventually, the standard molar enthalpy of formation of the title complex was derived to be −(2467.9 ± 3.2) kJ mol−1 in accordance with Hess's law.
The standard molar enthalpy of formation of the title complex Zn(Nic)2 · H2O s) was calculated as −(1062.3 ± 2.0) kJ · mol−1 by use of the enthalpies of dissolution and other auxiliary thermodynamic data.
Base-assisted eliminative aromatization in the [4+1] ring synthesis shed light on interesting leaving group propensities of amine versus hydrazine resulting in the exclusive formation of the title compounds with immense potential as scaffolds for drug discovery.
In accordance with a reasonable thermochemical cycle designed, the standard molar enthalpy of formation of the title complex was determined to be −1207.86 ± 3.39 kJ mol−1 by an isoperibol solution reaction calorimeter.
In addition, the standard molar enthalpies of dissolution for the reactants and products of the synthesis reaction in a selected solvent were measured by an isoperibol solution-reaction calorimeter, and the standard molar enthalpy of formation of the title complex was calculated as – (2993.0 ± 3.0) kJ mol−1 by the Hess thermochemical cycle.
We have calculated the heats of formation (HOFs) of the title compounds by using density functional theory (DFT) with the 6-31G∗∗ baset set.
We have calculated the heats of formation (HOFs) of the title compounds by using density functional theory (DFT) with 6-31G** baset set.
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