Fossil fuels, which represent an important villain for the terrestrial ecosystem, are non-renewable sources of energy, which prompt many discussions about how long petroleum will remain available for use. As an alternative, new energy sources have been explored, including biofuels, such as biodiesel and ethanol. However, their use can raise some problems, such as lower storage stability associated with poor oxidation stability and lower energy availability, which affect consumption, emissions, and energy efficiency. In this context, a comprehensive study with structural description, theoretical calculations, and calorific power test was performed for a new halogen chalcone 4-(4-chlorophenyl)-1-[4-(2-oxo-2-phenylethoxy)phenyl]butan-2-one to understand its supramolecular arrangement and physicochemical properties. The structural description was carried out by X-ray diffraction with the contribution of Hirshfeld surfaces. The theoretical calculations were carried out using density functional theory with the contribution of calorific power determined by a calorimetric pump. All observed results characterize the new chalcone as a potential additive for biofuels.

中文翻译：

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具有生物燃料应用潜力的新型卤素查耳酮

化石燃料是陆地生态系统的重要组成部分，是不可再生的能源，这促使人们对石油将继续使用多久进行了许多讨论。作为替代方案，已经探索了新的能源，包括生物燃料，例如生物柴油和乙醇。但是，它们的使用会带来一些问题，例如与不良的氧化稳定性相关的较低的存储稳定性和较低的能源利用率，这会影响消耗，排放和能效。在这种情况下，对新型卤素查尔酮4-（4-氯苯基）-1- [4-（2-氧代-2-苯基乙氧基）苯基]丁烷进行了结构研究，理论计算和发热量试验的综合研究。 -2-一了解其超分子排列和理化性质。通过X射线衍射在Hirshfeld表面的作用下进行结构描述。使用密度泛函理论进行理论计算，并通过量热泵确定热量的贡献。所有观察到的结果都表明新查尔酮是生物燃料的潜在添加剂。