生物有机分子构像分析的新探针研究

Study New Probing on Conformation of Biologic Organic Molecule

通过轨道电子密度分布研究生物有机分子构像 ,可获得区别于现有研究手段所能得到的结果。对基于 (e,2e)散射实验的电子动量谱学作为一种生物有机分子构像分析的方法进行了探讨。

The electron momentum spectroscopy (EMS) technique is a powerful tool to inspect molecular electronic structure,and this experimental orbital imaging is in mome ntum space rather than the more familiar position space.Both the one-electron bi nding energies and momentum distributions consistently image the distortions and topological changes that molecular orbitals undergo due to torsion of the carbo n backbone,and thereby exhibit variations that can be traced experimentally.With regard to the intimate relation (e,2e) cross sections with orbital densities,EM S can therefore be viewed as a very powerful,but up to now largely unexploited,c onformational probe.These calculations also indicated that EMS should clearly be one of the best-suited tools for tracing conformations of biologic organic mole cule.