高硅分子筛中VO^(2+)离子络合物ESR波谱的研究  

Studies on the ESR Spectra of the VO^(2+) Ion Complexes in the High-Silica Zeolites

作　　者：沈少波[1] 单绍纯[2] 黄敏明[2] 

机构地区：[1]南京中国药科大学物化研究室 [2]中国科技大学近代化学系,合肥230026

出　　处：《Chinese Journal of Chemical Physics》1993年第4期363-369,共7页化学物理学报（英文）

基　　金：国家自然科学基金

摘　　要：本文报导了高硅分子筛HZSM-5和氢型丝光沸石中VO^(2+)离子超精细结构各向异性ESR谱,提出了VO^(2+)离子络合物的两种可能结构。用配位场理论建立了VO(H_2O)_4^(2+)络合物分子轨道。通过计算机拟合得到VO^(2+)离子络合物g张量和A张量值,用配位场微拢理论近似计算VO(H_2O)_4^(2+)络合物的d-d跃迁能量,并将样品的每一组g张量和A张量与其相应的VO(H_2O)_4^(2+)络合物结构相关联得到合理的结果。In this paper, anisotropic ESR spectra with hfs of VO^(2+) ions, which exist in HZSM-5 and H-Mordenite high-silica zeolites, have been reported. Two kinds of possible structures of VO^(2+) ion complexs with the formation of VO(H_1O)_4^(21) have been suggested. The molecular orbits of VO(H_2O)_4^(2+) complexs have been set up by means of coordination field thenry. The perturbational theory of coordination field has been applied to approximatedly calculate the d-d transition energies of VO(H_2O)_4^(2+) complexs by means of the values of g tensor and A tensor obtained from the computer simulating. According to the relative magnitude of d-d transition energies of VO(H_2O)_4^(2+) complexs of each sample, a set of g tensor and A tensor of each sample can bc related to the reciprocial structure of VO(H_2O)_4^(2+) complex.

关 键 词：高硅分子筛 钒氧离子 络合物 ESR 

分 类 号：O647.33[理学—物理化学]