Prabhune Aditi, Natekar Amrita, Dey Ranjan
Department of Chemistry, BITS-Pilani K. K. Birla Goa Campus, Zuarinagar, India.
Department of Chemistry, Dnyanprassarak Mandal's College and Research Centre, Assagao-Bardez, India.
Front Chem. 2022 May 26;10:868836. doi: 10.3389/fchem.2022.868836. eCollection 2022.
In the present investigation, an attempt has been made to evaluate internal pressure , energy , and enthalpy of vaporization along with excess entropy and excess isothermal compressibility for binary solutions of alkanones (2-propanone, 2-butanone, and 2-heptanone) and aromatic amines (aniline, N-methylaniline, and pyridine) at 293.15, 298.15, and 303.15 K, respectively. The cohesive energy density (CED) and solubility parameter are studied to understand the strength of molecular interactions. The coefficient of thermal expansion and isothermal compressibility have also been investigated using empirical equations and have been employed to understand the molecular interactions. All the evaluated properties have been used to understand the nature and extent of intermolecular interactions taking place. The observed trends in the properties and their variations have been discussed in terms of varying chain lengths of the alkyl group and the hydrogen bonding capability of the components. The findings show that the extent of interactions follows an order: aniline > NMA > pyridine, keeping the alkanone constant at all the temperatures under study.
在本研究中,已尝试分别评估在293.15 K、298.15 K和303.15 K下,链烷酮(2-丙酮、2-丁酮和2-庚酮)与芳香胺(苯胺、N-甲基苯胺和吡啶)二元溶液的内压、能量、汽化焓,以及过量熵和过量等温压缩率。研究了内聚能密度(CED)和溶解度参数,以了解分子间相互作用的强度。还使用经验方程研究了热膨胀系数和等温压缩率,并用于理解分子间相互作用。所有评估的性质均用于了解发生的分子间相互作用的性质和程度。已根据烷基链长度的变化和各组分的氢键能力,讨论了性质中观察到的趋势及其变化。研究结果表明,在所有研究温度下保持链烷酮不变时,相互作用程度遵循以下顺序:苯胺 > N-甲基苯胺 > 吡啶。