有机同秩物概念及单取代烷烃同秩物生成焓和电离能变化规律
摘要
Novel concept system including organic homo-rank series, organic homo-rank compounds and organic homo-rank isomers were proposed. Taking homo-rank compounds of mono-substituted alkanes X<sub>i</sub>-(CH<sub>2</sub>)<italic><sub>j</sub></italic>-H (X<italic><sub>i </sub></italic>= F、Cl、Br、I、NO<sub>2</sub>、CN、NC、OH、NH<sub>2</sub>、SH、COOH、CHO)as example, their structure-property relationships against gas-phase standard molar enthalpy of formation (Δ<sub>r</sub><italic>H</italic><sub>m</sub><sup>Θ</sup>) and ionization potential (<italic>IP</italic>) were investigated. Regression models for enthalpy of formation of seven sets of homo-rank compounds with <italic>j </italic>= 2-8 and ionization potential of three sets of homo-rank compounds with <italic>j </italic>= 2-4 were built as Δ<sub>r</sub><italic>H</italic><sub>m(<italic>j</italic>)</sub><sup>Θ</sup>= <italic>a</italic> + <italic>b </italic>Δ<sub>r</sub><italic>H</italic><sub>m(1)</sub><sup>Θ</sup>+ <italic>cPEI</italic>(R) and<italic> IP</italic><sub>(<italic>j</italic>) </sub>= <italic>a</italic> + <italic>bIP</italic><sub>(1)</sub> + <italic>bPEI</italic>(R), respectively. This study indicates that a new structure-property relationship approach can be developed from the perspective of organic homo-rank compounds, which is an independent and complementary approach with that based on orgainc homolog compounds. The concept system proposed in this paper not only adds new theory and concept to organic chemistry, but also opens up new perspectives for the study on structure-property change regularity of organic compounds.