頁籤選單縮合
題名 | To Assign the 号O NMR Peaks of 2,1-Benzoxathiol- 3-one-1-Spiro-1'- (2',1'-oxathiol-3'-one) by Using the Conformationsof 2,1-Benzoxathiol-3-one and 2,1-oxathiol-3-one from MNDO Calculation=藉2,1-Benzoxathiol-3-one及2,1-oxathiol-3-one來自MNDO計算的構型去提示2,1-Benzoxathiol- 3-one-1-Spiro-1'- (2',1'-oxathiol-3'-one)的号O NMR吸收峰 |
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作者 | 何瑞彰; 劉怡新; Ho, Zwei-chang; Liu, Yi-hsin; |
期刊 | 大仁學報 |
出版日期 | 19990500 |
卷期 | 17 1999.05[民88.05] |
頁次 | 頁199-208 |
分類號 | 346.06 |
語文 | eng |
關鍵詞 | 号O NMR; MNDO calculation; Sulfurane; |
中文摘要 | 2,1-Benzoxathiol-3-one 及 2,1-oxathiol-3-one 分別是構成 2,1-benzoxathiol-3-one-1-Spiro-1-(2,1-oxatiol-3-one) 的兩個部分,利用MNDO 分子計算方法,2,1-Benzoxathiol-3-one 及 2,1-oxathiol-3-one 的分子構形及其上的碳氧 bond order 可被計算出來,藉者比較2,1-Benzoxathiol-3-one 及 2,1-oxathiol-3-one 上的bond order,2,1-Benzoxathiol-3-one-1-Spiro-1-(2,1-oxathiol-3-one)分子上的四個 �噎NMR 吸收峰可以很成功的被提示出來. |
英文摘要 | 2,1-Benzoxathiol-3-one and 2,1-oxathiol-3-one are two moieties to construct 2,1-Benzoxathiol-3-one-1-Spiro-1-(2,1-oxathiol-3-one). By using MNDO motecular calculation, the conformations and C-O bond orders of 2,1-Benzoxathiol-3-one and 2,1-oxathiol-3-one have been calculated out. The four�� O NMR peaks of 2,1-Benzoxathiol-3-one-1-Spiro-1-(2,1-oxathiol-3-one) have successfully been assigned by the comparison of C-O bond order of 2,1-Benzoxathiol-3-one and 2,1-oxathiol-3-one. |
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