Abstract
Although N-ethylcarbazole is considered as a most promising potential liquid organic hydrogen carriers (LOHC) substance, a major drawback for stationary and particularly mobile applications is its high melting point of 343 K. Study of other possible N-alkylcarbazole-derivatives having lower melting points but keeping a high storage density is of practical importance. This contribution presents thermochemical properties (enthalpy of formation, enthalpy of vaporization, enthalpy of sublimation, and fusion enthalpy) for N-alkylcarbazoles (with alkyl = isopropyl, n-propyl, and n-butyl) derived from experiments in order to investigate the applicability of the carbazole derivatives as potential LOHCs. Additionally, high-level quantum chemical calculations were applied to determine molar enthalpies of formation of the gaseous carbazole derivatives and thus validated the experimental findings. Using a combination of the quantum-chemical calculations with vaporization enthalpy data measured in this work, the stand...
Published Version
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