An Analytical Comparison of the Strengths of Hydrogen Bonding Among Water، Ammonia, and Hydrogen Fluoride Molecules Was Conducted

چکیده

One of the most crucial subjects in thermochemistry is the enthalpy changes of chemical reactions. a specific quantity of energy is either released or absorbed during a chemical process. Thermochemistry is the study of the energy emitted or absorbed during chemical processes. This study uses quantum calculations and the rules of energy addition to study the estimated enthalpy changes of chemical reactions in the reaction between hydrogen and ethylene molecules. The calculated and experimental data are compared to determine the enthalpy changes of chemical reactions. all of the data for this computational study was calculated using the quantum software ORCA. according to the study's findings, the chemical reaction between hydrogen and ethylene molecules has predicted enthalpy changes of -417989.7 kJ/mol. which, because electron energies and oscillation zero-point energy are not taken into account, does not match well with experimental results. Consequently, it has been determined that this contact is a heating interaction based on computational and experimental data.

Keywords: Electronic energy, reaction enthalpy, dissociation enthalpy and thermochemistry