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前文讨论了双取代乙烯和取代苯中质子偶合常数的计算问题,本文把计算原理和方法推广应用于取代萘偶合常数的计算. 与取代苯相似,当萘分子中的氢原子被某些基团取代后,与取代基连接的碳原子及其邻近碳原子之间的电子密度会发生变化,当然,分子的几何构型也可能改变,但一般变化不大.如果我们只考虑取代基对碳原子间电子密度的影响,那么,取代苯偶合常数的计算公式同样适用于取代萘,即:
We discussed the calculation of the proton coupling constants in disubstituted ethylene and substituted benzene. The calculation principle and method are extended to the calculation of substituted naphthalene coupling constants. Similar to substituted benzene, when hydrogen atoms in naphthalene are replaced by some groups After substitution, the electron density between the carbon atom attached to the substituent and its adjacent carbon atoms changes, of course, the molecular geometry may also change, but generally little change if we only consider the substituent on carbon atoms Between the electron density, then the formula for substituting benzene coupling constant is also applicable to substituted naphthalene, namely: