- 作者: 陳光雄
- 作者服務機構: 私立淡江文理學院
- 中文摘要:
電子共振儀所測得之??離子對及三層離子的g值和利用分子軌道論根據假定之結構
所計算的g值來比較。
在分子軌道論計算中之重合積分用來計算電子共振儀譜中之偶合常數和g值是同一數
值,這種好的配合告訴我們電子共振儀可測之g值如果小心的使用可用來測定離子對及三
層離子的結構,並且可用於測定無法從偶合常數得到的原子的不成對電子的密度。
, - 英文摘要: The g-values of ion pairs and triple ions of anthraquinone were mea-sured and compared with the values being calculated from the McLachlanURHF MO theory combined with the modified McClelland treatment basedon the assumed structures. The agreement between the overlap integralsrequired to fit experimental g-values and those previously calculated forthe proton hyperfine splittings is very good·This good correlation seemsto indicate that the careful use of g-value can provide additional informa-tion concerning (1) structural determinations, and (2) spin densities on atomssuch as oxygen, where the determination of spin density from hyperfinesplitting is not easy.
- 中文關鍵字: --
- 英文關鍵字: --