摘要
计算了N,N,N’,N’-四丁基-3-氧-戊二酰胺(N,N,N’,N’-tetrabutyl-3-oxa-pentanediamide,TBOPDA)中各个原子的电荷分布,根据电荷分布情况讨论了TBOPDA中有关化学键的相对稳定性和可能断裂几率,认为TBOPDA中化学键的辐照稳定程度为C-O<C-H<C-N<C-C。理论推测的结果与相关辐解产物的产额顺序基本一致。
The partial electron of atoms in N,N,N＇,N＇-tetrabutyl-3-oxa-pentanediamide （TBOPDA） was calculated with MM＋ codes. The stability and cleavability of different single-bonds were discussed, with the radiation stability being C-O 〈 C-〈 C-N 〈 C-C. The calculation results were confirmed experimentally by G values of radiolysis products of TBOPDA samples, which were measured by solid phase micro-extraction and gas chromatography.
出处
《辐射研究与辐射工艺学报》
EI
CAS
CSCD
北大核心
2005年第5期292-295,共4页
Journal of Radiation Research and Radiation Processing
