Time Evolution of Vibration-Induced Excited State Decay

A simple model consisting of two electronic levels and one vibrational mode (phonon) was theoretically studied. The electronic-vibrational interaction was linear in the vibrational displacement. The vibrational mode was taken in the harmonic approximation and was attached to the thermal bath formed by the ambient environment. The kinetic constants of the vibrational dissipation were of the second order in the vibrational-bath coupling and were taken in the Markovian limit. Although, depending on the parameters of the model, different curves of the non-radiative vibration-induced excited state decay were obtained, in general, three time intervals, corresponding to different physical behaviour, were found. In the short-time interval, small oscillations superimposed on the excited state decay were observed. They were determined by the vibrational frequency and influenced by electronic-vibrational coupling. In the middle-time interval, almost quasi-exponential decay was detected; its rate constant increased with stronger electronic-vibrational interaction and speed of vibrational relaxation. In the long-time interval, the decay was very slow and, under special conditions, even an asymptotic non-zero excited state population was observed. Its value increased with the strength of the off-diagonal electron-vibrational coupling. Links of the parameters of the model with quantum chemical terms were estimated.     

A study of the mechanism and kinetics of interaction between nepheline powder and ammonium hydrofluoride

Behavior of a skeleton silicate, nepheline, in the reaction of fluorination with ammonium hydrofluoride was studied by means of differential-thermal, X-ray phase, and chemical analyses, IR spectroscopy, and scanning electron microscopy.     

Squeezed states and uncertainty relations since 1991

A brief review of the history of ten workshops/conferences on “Squeezed States and Uncertainty Relations” and main achievements in the related fields of quantum physics for the period from 1991 to 2007 are presented.     

One‐step synthesis of aminopyrimidines from 5‐Oxo‐4H‐benzopyrans

Novel 4‐amino‐6‐aryl‐2‐phenylpyrimidine‐5‐carbonitriles have been prepared in one step procedure from the readily available 4‐aryl‐2‐amino‐3‐cyano‐5,6,7,8‐tetrahydro‐7,7‐dimethyl‐5‐oxo‐4H‐benzopyrans. The mass spectroscopy study under EI conditions shows molecular peaks with high intensity corresponding to the loss of benzonitrile from the C2 position of the pyrimidine ring. Semiempirical (AMI and PM3) and ab initio HF/6–31G* calculations reveal a favored distorted geometry where the three rings are not in the same plane.     

Model of free charge generation in polymers

A time solution of the excimer-ion pair system is presented here with a special attention to the time asymptote. Presented at the Czech-Israeli-German Symposium “Dynamical Processes in Condensed Molecular Systems”, Prague, Czech Republic, 26–30 May 1997. This work was supported by the grant No. C 1050601 of the Grant Agency of the Academy of Sciences of the Czech Republic.     

Interface-induced states with an incommensurate spin-density wave in Fe/Cr-type multilayers

A model is proposed for magnetic ordering in Fe/Cr-type multilayers substantially above the Néel temperature of bulk chromium. Redistribution of the charge (and, hence, spin) density near the Fe/Cr interfaces gives rise to the formation of an essentially inhomogeneous spin-density-wave (SDW) state in the chromium spacer. The spatial structure of the antiferromagnetic order parameter in thick spacers is described. The SDW contribution to the effective exchange coupling between the moments in adjacent iron layers is calculated. The data obtained are used in the interpretation of experimental data on the tunneling spectroscopy of trilayers and neutron diffraction from Fe/Cr superlattices.     

钙钛矿型La_((1 x)/2)Sr_((1-x)/2)Co_(1-x)Cu_xO_3催化CO氧化活性与表征

研究了钙钛矿型LaSrCoCu_xO_3催化剂对CO氧化反应的催化活性及其表面氧的催化作用．结果表明，x＝0．4的催化剂对CO氧化具有最高催化活性，常压及本实验条件下CO完全氧化的最低温度为168℃；催化剂均为氧缺陷化合物，吸附于表面晶格氧缺陷上的吸附氧是CO氧化反应的活性氧物种；并发现催化剂中存在有非常价态的C04 ，认为CO氧化反应是通过吸附氧调变Co3 和Co4 价态而进行．