Theoretical analysis on molecular magnetic properties of heteroporphyins and N-confused heteroporphyrins

【作者】 魏巍； 白福全； 张红星；

【Author】 Wei Wei,Fu-Quan Bai,Hong-Xing Zhang~* State Key Laboratory of Theoretical and Computational Chemistry,Institute of Theoretical Chemistry, Jilin University,Changchun,130023,China,

【机构】 State Key Laboratory of Theoretical and Computational Chemistry,Institute of Theoretical Chemistry,Jilin University,Changchun,130023,China；

【摘要】 <正>Porphyrin and its isomer(N-confused porphyrin) have been theoretically investigated by many researchers[1-5].Recently,a series of theoretical studies mentioned the magnetic properties of porphyrin,N-confused porphyrin and their substituted derivatives existed withπcurrent density has also been carried out.Porphyrin,tetraphenylporphyrin,N-confused porphyrin, tetraphenyl-N-confused porphyrin and their substituted derivatives with O,S and Se heteroatoms更多还原