作者: Hongli Liu , Satoko Kido , Tadashi Kamiyama , Masao Fujisawa , Takayoshi Kimura
DOI: 10.1007/S10973-010-0743-7
关键词: Enthalpy 、 Interaction energy 、 Mole fraction 、 Ab initio 、 Nitrile 、 Physical chemistry 、 Molecule 、 Structural isomer 、 Chemistry 、 Organic chemistry 、 Intermolecular force
摘要: To obtain further systematic information for the isomer systems, excess molar enthalpies binary (o + m), p), (m p)-isomers of methoxymethylbenzene, ethylmethylbenzene, diethylbenzene, chloromethylbenzene, tolunitrile and fluorobenzonitrile, tolylacetonitrile were measured at 298.15 K. In this article, results are discussed compared with those previous works. The systems in different solid liquid states when pure component o-/m-tolunitrile, fluorobenzonitrile was titrated into prior p) or mixtures. A series calculation interaction energies (IE) between isomers carried out pair molecules by ab initio MO Gaussian 09. Correlations a fraction x = 0.5 intermolecular energy discussed.