Induced circular dichroism of β-cyclodextrin complexes with azanaphthalenes - polarization directions of the π → π transitions in azanaphthalenes
Induced circular dichroism of β-cyclodextrin complexes with azanaphthalenes - polarization directions of the π → π transitions in azanaphthalenes
复制标题
β-环糊精与氮杂萘复合物的诱导圆二色性 - 氮杂萘中 π → π 跃迁的偏振方向
DOI：
10.1021/ja00389a029
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发表时间：
1982
影响因子：
15
通讯作者：
M. Hatano
中科院分区：
文献类型：
--
作者：
H. Shimizu;A. Kaito;M. Hatano
在200-400 nm波长范围内测定了β-环糊精（β-CD）与单萘、二萘和三氮杂萘复合物的诱导圆二色性（ICD）光谱。用CNDO/S-CI近似计算了这些氮杂萘分子的极化曲线，并与ICD谱进行了比较。氮杂萘的第一个 **-跃迁的极化方向与氮原子的位置密切相关，并可由相应的最低 *·*- it态的构型系数确定。从ICD带的观察与混合的迹象，“禁止”字符的存在强烈建议在异喹啉，酞嗪，噌啉，和喹唑啉的第二吸收带。在每种情况下的氮杂萘，积极的ICD带在第三个吸收带的观察表明，占主导地位的长轴极化电子跃迁。
The induced circular dichroism (ICD) spectra of the/3-cyclodextrin (/3-CD*) complexes with mono-, di-, and triazanaphthalenes were measured in the wavelength region 200-400 nm. The polarization analysis and spectral assignments of these azanaphthalenes were made from the comparison of the theoretical results calculated by using the CNDO/S-CI approximation with theobserved ICD spectra. The polarization directions of the first**— transitions in azanaphthalenes are closely related to the position of aza nitrogen atoms and can be determined by the coefficients of the configurations in the corresponding lowest*·*- it states. From the observation of the ICD band with mixed signs, the presence of the “forbidden” character is strongly suggested in the second absorption bands of isoquinoline, phthalazine, cinnoline, and quinazoline. In each case of azanaphthalenes, the observation of positive ICD bands in the third absorption band indicated the predominance of the long-axis-polarized electronic transitions.