The present paper reports the synthesis of two analogs of Schzandrin C (-DDB, (-DDB with the gallic acid as the starting material. The key step is the synthesis of monomer of (-DDB and (-DDB for coupling. (-DDB, (-DD...The present paper reports the synthesis of two analogs of Schzandrin C (-DDB, (-DDB with the gallic acid as the starting material. The key step is the synthesis of monomer of (-DDB and (-DDB for coupling. (-DDB, (-DDB have different yields in Ullmann coupling reaction under the same condition. The yield of (-DDB is little lower than that of (-DDB. The AM1 calculation demonstrates that ΔH of the Ullmann coupling reaction of (-DDB and (-DDB are different. The former is -175.76966KJ/mol and the later is -203.21246KJ/mol. This is in agreement with the fact that (-DDB has higher yield than (-DDB.展开更多
The geometries of tetraphenylporphyrin which is a kind of important porphyrin derivatives, and its N-protonated diacid are calculated with AM1 MO method under symmetry restriction. The configurational changes and thei...The geometries of tetraphenylporphyrin which is a kind of important porphyrin derivatives, and its N-protonated diacid are calculated with AM1 MO method under symmetry restriction. The configurational changes and their effects on molecular aggregation are discussed by means of structure analysis, charge population analysis and frontier orbital analysis.展开更多
基金the Henan Outstanding Younth and Natural Science Foundation of China
文摘The present paper reports the synthesis of two analogs of Schzandrin C (-DDB, (-DDB with the gallic acid as the starting material. The key step is the synthesis of monomer of (-DDB and (-DDB for coupling. (-DDB, (-DDB have different yields in Ullmann coupling reaction under the same condition. The yield of (-DDB is little lower than that of (-DDB. The AM1 calculation demonstrates that ΔH of the Ullmann coupling reaction of (-DDB and (-DDB are different. The former is -175.76966KJ/mol and the later is -203.21246KJ/mol. This is in agreement with the fact that (-DDB has higher yield than (-DDB.
文摘The geometries of tetraphenylporphyrin which is a kind of important porphyrin derivatives, and its N-protonated diacid are calculated with AM1 MO method under symmetry restriction. The configurational changes and their effects on molecular aggregation are discussed by means of structure analysis, charge population analysis and frontier orbital analysis.
