用ＡＭ１和ＩＮＤＯ／ＣＩ方法研究了螺旋共轭化合物Ⅰ的结构和电子光谱，并在此基础上，用完全态求和公式（ＳＯＳ，自编程序）计算了二阶非线性光学系数βμ．把结果与其对应的多烯及联苯连接的化合物Ⅱ和Ⅲ用同一方法计算得到的结果加以比较，发现螺旋共轭化合物Ⅰ的二阶非线性光学系数βμ虽然小于Ⅱ和Ⅲ，但其透明性均比化合物Ⅱ和Ⅲ好 The structures and electronic spectra of the helical conjugated compounds Ⅰ were studied by using AM1 and INDO / CI methods. On the basis of this, the second order nonlinear optical coefficient βμ was calculated by using the complete state summation formula (SOS, self programming). The results were compared with those of the corresponding polyene and biphenyl compounds Ⅱ and Ⅲ calculated by the same method. It was found that although the second-order nonlinear optical coefficient βμ of the helical conjugated compound I was smaller than Ⅱ and Ⅲ, its transparency Are better than compounds Ⅱ and Ⅲ