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NMR titration and molecular model MOPAC calculation of protonation processes of two MRI ligands
Author(s) -
ShanRong Zhang,
XinYu Li,
WeiDong Liu,
FengKui Pei
Publication year - 1998
Publication title -
chinese journal of chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.28
H-Index - 41
eISSN - 1614-7065
pISSN - 1001-604X
DOI - 10.1002/cjoc.19980160407
Subject(s) - protonation , chemistry , amine gas treating , titration , amide , terminal (telecommunication) , proton nmr , medicinal chemistry , stereochemistry , organic chemistry , telecommunications , ion , computer science
The protonation process of two DTPA bis(amide) derivatives, DTPA‐BDMA and DTPA‐BDEA, was studied by using 1 H 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.