The complex of sodium perrhenate with ester derivative of calix[4]arene having the stoichiometric formula [NaL]Reo4.H2O, was prepared. The X-ray structure analysis revealed that the sodium ion is coordinated to four e...The complex of sodium perrhenate with ester derivative of calix[4]arene having the stoichiometric formula [NaL]Reo4.H2O, was prepared. The X-ray structure analysis revealed that the sodium ion is coordinated to four ether and four carbonyl oxygen atoms giving a coordination number of eight with a tetragonal antiprism configUration. The complex cation [NaL]+ and anion ReO4 are linked by electrostatic attraction.展开更多
A new ab-initio method of computing reorganization energy (RE) for the electron transfer (ET) reaction between M-H and M+-H system is presented. Values of RE from precise RE definition and the George-Griffith-Marcus (...A new ab-initio method of computing reorganization energy (RE) for the electron transfer (ET) reaction between M-H and M+-H system is presented. Values of RE from precise RE definition and the George-Griffith-Marcus (GGM) model were obtained and compared with the RE obtained from the experimental spectroscopic data. Results show that in the gaseous phase, ET reactions by the new method can give better values than classical GGM model.展开更多
文摘The complex of sodium perrhenate with ester derivative of calix[4]arene having the stoichiometric formula [NaL]Reo4.H2O, was prepared. The X-ray structure analysis revealed that the sodium ion is coordinated to four ether and four carbonyl oxygen atoms giving a coordination number of eight with a tetragonal antiprism configUration. The complex cation [NaL]+ and anion ReO4 are linked by electrostatic attraction.
文摘A new ab-initio method of computing reorganization energy (RE) for the electron transfer (ET) reaction between M-H and M+-H system is presented. Values of RE from precise RE definition and the George-Griffith-Marcus (GGM) model were obtained and compared with the RE obtained from the experimental spectroscopic data. Results show that in the gaseous phase, ET reactions by the new method can give better values than classical GGM model.
