硫杂蒽酮类光引发剂的紫外光谱特性及量子化学研究

UV SPECTRUM PROPERTY AND PPP CALCULATION OF THE PHOTOINITIATOR OF THIOXANTHONE DERIVATIONS

本文研究了十四种烷基、烷氧基取代的硫杂蒽酮类光引发剂的紫外光谱特性，利用量子化学的分子轨道理论圆满地解释了硫杂蒽酮类化合物的紫外吸收波长与其结构的关系。利用具有分子结构逻辑识别功能和分子结构编辑功能的ＣＡＭＴＣ软件，及ＰＰＰ计算程序对十四种硫杂蒽酮类化合物的吸收波长进行了计算，计算的结果和实测值能够很好的吻合。计算得到的线性回归方程对于预测硫杂蒽酮类化合物的最大吸收波长是十分有用的。

UV spectrum of fourteen photoinitiator of thioxanthone derivations in methanol、benzene、acetone and cyclohexane were determined.The relationship between maximum wavelength and molecular structure were also discussed,and the maximum wavelength of the compounds were calculated by PPP method.