반실험적인 양자역학 이론인 extended Huckel theory를 nitroaniline, 1-methoxy-4-nitroaniline과 1-ethoxy-4-nitroaniline에 적용하여 정량적으로 변화하는 sweetness기구를 구명코져 nitroaniline을 coplanar로 두고 ortho치환체의 geometrical rotation을 시켰을 때 charge density와 sweetness와의 상관관계를 설명하였다.
A semiempirical molecular orbital theory which is known as extended H ckel theory is applied to explain the sweet taste mechanism of nitroaniline, 1-methoxy-4-nitroaniline, and 1-ethoxy-4-nitroaniline which has different sweetness respectively. In this paper, the assumption is made that the nitroaniline is coplanar. The relationship between charge density and sweetness has been calculated according to the geometrical rotation of the orthosubstitute of nitroanilines. It has been shown that the calculated results are consistent with the experimental order of the relative sweetness.
