Chem. J. Chinese Universities ›› 2001, Vol. 22 ›› Issue (4): 626.

• Articles • Previous Articles     Next Articles

Theoretical Study on Effect of Bromination on Molecular Properties of Hypocrelin

YI Ping-Gui1,2, YU Qing-Sen1, SHANG Zhi-Cai1, LIN Rui-Sen1   

  1. 1. Department of Chemistry, Zhejiang University, Hangzhou 310027, China;
    2. Department of Chemical Engineering, Xiangtan Polytechnic University, Xiangtan 411201, China
  • Received:1999-10-10 Online:2001-04-24 Published:2001-04-24

Abstract: AM1 method has been used to calculate the molecular properties of hypocrellin A, hypocrellin Band their substituted bromine derivatives, such as the heat of formation, HOMOor LUMOenergy levels, intramolecular hydrogen bond and dipole moment. The effect of bromination on the properties of hypocrellin molecules has also been discussed.

Key words: Hypocrellin, AM1, Bromination

CLC Number: 

TrendMD: