Yang, Yuqing’s team published research in Jisuanji Yu Yingyong Huaxue in 28 | CAS: 5411-14-3

Jisuanji Yu Yingyong Huaxue published new progress about 5411-14-3. 5411-14-3 belongs to catalysis-chemistry, auxiliary class Carboxylic acid,Benzene,Ether, name is 2,2-(1,2-Phenylenebis(oxy))diacetic acid, and the molecular formula is C18H17N5O3, Related Products of catalysis-chemistry.

Yang, Yuqing published the artcileA preliminary theoretical study on T3,4CPP and its combination with Re=O, Related Products of catalysis-chemistry, the publication is Jisuanji Yu Yingyong Huaxue (2011), 28(2), 143-146, database is CAplus.

The mol. structure of meso-tetrakis 3,4-bis(carboxymethyleneoxy)phenyl porphyrin (T3,4CPP) and the combination of Re = O with T3,4CPP are studied using the DFT(d. functional theory) with B3LYP method. Their optimum geometry structures, FMO and combination energy are calculated and analyzed. The porphin ring in T3,4CPP keeps good planarity and exactly similar geometry with sep. porphin ring. Also the combination energy of Re = O with T3,4CPP on porphin ring is remarkably higher than that of Re = O with T3,4CPP on carboxymethyleneoxy group of side chain. And stability of the former complex is much higher than that of the latter one. These imply that 188Re = O should be labeled with T3,4CPP on porphin ring while not on carboxymethyleneoxy group of side chain. It still shows that during combination of Re = O with T3,4CPP on porphin ring, electron shifts from carbon atoms to nitrogen atoms. It still shows that after combination of Re = O with T3,4CPP on porphin ring, the porphin ring deviates slightly (5.7 degree) from planarity to Re = O, and four nitrogen atoms slightly expand toward Re = O with the ring diameter deduced by 0.15-0.20 ?.

Jisuanji Yu Yingyong Huaxue published new progress about 5411-14-3. 5411-14-3 belongs to catalysis-chemistry, auxiliary class Carboxylic acid,Benzene,Ether, name is 2,2-(1,2-Phenylenebis(oxy))diacetic acid, and the molecular formula is C18H17N5O3, Related Products of catalysis-chemistry.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia