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題 名 | 立體效應對偶氮染料分子結構之影響 |
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作 者 | 陳培中; 黃炯家; | 書刊名 | 中正嶺學報 |
卷 期 | 22:1 1993.07[民82.07] |
頁 次 | 頁1-6 |
分類號 | 465.3 |
關鍵詞 | 分子結構; 立體效應; 偶氮染料; 對偶; 基本函數; 平面偏移角; Azodye; Base function; Dihedral angle; |
語 文 | 中文(Chinese) |
中文摘要 | 以ab initio方法可以成功地處理偶氮染料的分子結構。本研究以 Gaussion86套裝軟體進行一些具有立體效應之偶氮染料分子結構的理論計算,發 現取代基的位置對分子鍵長及鍵角的影響甚小,而對平面偏移角則有甚大的影 響。 |
英文摘要 | Ab initio calculation has been proven to study the molecular structure succesfully. In thisstudy, some azocompounds which have the steric effect have been chosen in calculation and thecalculation package was the Gaussian 86 software. After the calculation, it was found the substituted functional groups had the minor effects for the bond lengths and bond angles of themolecules; However, the out of the plane angle of the benzene ring of the molecules had themajor effect. |
本系統中英文摘要資訊取自各篇刊載內容。