000			01750nam a22002057a 4500
005			20240117110610.0
008			240116b ||||| |||| 00| 0 eng d
022			_a0021-9584
100			_aCao, Chao-Tun
245			_aUsing the Intermolecular Interaction Index to Understand the Change in Boiling Points of Alkanes _b(Journal Article)
260			_aWashington DC _b: American Chemical Society _c, 2023
300			_a3652–3658p.
440			_aJournal of Chemical Society _v, Volume 100: Number 9, September 2023
505			_a***______{For Hard Copy, Please visit Library.}________***
520			_aAbstract: By organizing an extracurricular seminar, based on the analysis of the intermolecular dispersion action in normal alkanes, a new topological index (named “Intermolecular Interaction Index (IMI)”) was proposed to express the intermolecular dispersion force. The IMI has an excellent linear relationship with the boiling point (Tb) of normal alkanes containing carbon atoms C2–C40 (standard error only 0.87 K). For Tb of branched alkane isomers, only the addition of a parameter ΔAOEI (“average odd–even index difference”) is needed to establish the correlation equation. The seminar activity promotes students’ ability for molecular structure–property reasoning and provides students with a preliminary understanding of the molecular graph, topological index, and principle of development of quantitative structure–property relationship (QSPR) models.
650			_aUniversity Course| Organic Chemistry| Alkanes| Boiling Point| Intermolecular Interaction Force| Topological Index| Chemical Engineering
700			_aCao, Chenzhong
856			_uhttps://doi.org/10.1021/acs.jchemed.2c01259
942			_cPER
999			_c45301 _d45300