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NMR titration and molecular model MOPAC calculation of protonation processes of two MRI ligands

NMR titration and molecular model MOPAC calculation of protonation processes of two MRI ligands
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摘要 The protonation process of two DTPA bis(amide) derivatives, DTPA-BDMA and DTPA-BDEA, was studied by using 1H NMR titration and MOPAC calculation. Their protonation process was proposed in the order of the central amine, the terminal amines, the central carboxyl, the terminal carboxyl, the other terminal carboxyl and central amine. During the protonation of the terminal amine, them existed a large fraction of proton transfer from the central amine to the other terminal amine. The protonation process of two DTPA bis(amide) derivatives, DTPA-BDMA and DTPA-BDEA, was studied by using 1H NMR titration and MOPAC calculation. Their protonation process was proposed in the order of the central amine, the terminal amines, the central carboxyl, the terminal carboxyl, the other terminal carboxyl and central amine. During the protonation of the terminal amine, them existed a large fraction of proton transfer from the central amine to the other terminal amine.
出处 《Chinese Journal of Chemistry》 SCIE CAS CSCD 1998年第4期330-335,共6页 中国化学(英文版)
基金 Project supported by the Scientific Foundation of Chinese Academy of Sciences
关键词 DTPA-BDMA DTPA-BDEA protonation process NMR and MOPAC DTPA-BDMA DTPA-BDEA protonation process NMR and MOPAC
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