摘要:

Using the first order perturbation theory, the analytical expressions are obtained for the dependence of the Franck-Condon factors (FCF) on the rotational quantum number J for P, Q and R-branches in the form of a polynominal expansion in J(J+1). A new quantitative criterion for estimating the influence of rotation-vibrational interactions on the FCF of diatomic molecules is obtained.

ISSN:0038-7010    

DOI:10.1080/00387018608069313

出版商:Taylor & Francis Group    

年代:1986

数据来源: Taylor

摘要:

A new mass spectrometry detector for chromatography is described. It is element/isotope specific. The interfacing of GC with the detector is very simple, consisting of a short (0. 5m) stainless steel tube. Oxygen gas (about 20% of total sample gas flow) must be injected, into the GC effluent entering the torch, to prevent carbon buildup on the torch. Three pentylated tin compounds (Me3SnPe, Me2SnPe2and MeSnPe3) were separated and determined using the system. Although detection limits (ng's) achieved in this preliminary work were worse by over 2 orders of magnitude compared to state-of-the-art electrothermal atomic absorption detection, the approach holds much promise for the future in environmental/clinical metal organic species investigations.

ISSN:0038-7010    

DOI:10.1080/00387018608069314

出版商:Taylor & Francis Group    

年代:1986

数据来源: Taylor

摘要:

Two different approaches to the determination of the dependence of the electronic transition moment on the internuclear distance, Me(R), are considered. It is shown that Me(R) dependences obtained by ab initio and semi-empirical methods take into account electronic-vibrational interactions in a various manner. In semi-empiral methods these interactions are take into account to a greater degree, than in non-empirical quantum-mechanical methods which do not include nonadiabatic corrections. A system of concepts, which allows to unite the information obtained in two different, mutually complementing ways, is considered in the paper.

ISSN:0038-7010    

DOI:10.1080/00387018608069315

出版商:Taylor & Francis Group    

年代:1986

数据来源: Taylor

摘要:

The simple (five-parameter) force-field approximations for condensed aromatics, both for the in-plane and out-of-plane vibrations, are used to calculate the frequencies for hexabenzocoronene A (C42H18) and hexabenzocoronene B (C48H24).

ISSN:0038-7010    

DOI:10.1080/00387018608069316

出版商:Taylor & Francis Group    

年代:1986

数据来源: Taylor

摘要:

The13C Dipole-dipole relaxation time and the activation energies of internal motion of cyclic ether backbone were obtained for the 1,4,7,10-tetraoxacyclododecane(12. crown. 4) and its cationic complexes.13C dipolar relaxation time,TDD1of free tetraoxacyclododecane molecule and its Li,+Ca2+and Mg2+complexes were determined at various temperatures in DHO and CH3OD solutions at 15.0 MHz. The pseudorotation barriers of oxyethylene bridges were investigated throughout the temperature dependence of dipole-dipole relaxation times which verified that the TDD1values closely depend on the energy requirements of the particular dynamic processes of molecular systems as well as ion-dipole interactions of cation-cyclic ether. Namely, we concluded a simple analogy between the correlation times of the13C spins and the observed TDD1values in the vicinity of free and complexing systems. On the other hand our experimental results were correlated with the strain energy minimization calculations previously published, which have strongly proved our presented results.

ISSN:0038-7010    

DOI:10.1080/00387018608069317

出版商:Taylor & Francis Group    

年代:1986

数据来源: Taylor

摘要:

Infrared spectra of anthraquinone and anthraquinone-180-anion-radicals have been investigated. Anion-radicals have been obtained by electrochemical reduction of anthraquinone and anthraquinone-180 in dimethylsulf-oxide-d6.

ISSN:0038-7010    

DOI:10.1080/00387018608069318

出版商:Taylor & Francis Group    

年代:1986

数据来源: Taylor

摘要:

An automated system for transient optical absorption or emission measurements with a high signal - to-noise ratio has been created, using an Apple II personal computer. Special developed interface boards and routines provide the system management, data acquisition and data processing. The system description is given. Results are shown.

ISSN:0038-7010    

DOI:10.1080/00387018608069319

出版商:Taylor & Francis Group    

年代:1986

数据来源: Taylor

摘要:

The i,r. spectrum of CH2BrCl between 4000 and 200 cm−1has been investigated in the liquid phase. All the absorptions, except few features, have been identified and more than 50 bands including fundamentals, overtone and combination bands have been assigned. Anharmonicity constants from the characterized vibrational levels have been also determined. Data from liquid phase spectra are needed to correctly interpret the rather complex vapor phase features whose investigation is in progress now.

ISSN:0038-7010    

DOI:10.1080/00387018608069320

出版商:Taylor & Francis Group    

年代:1986

数据来源: Taylor

摘要:

The 60 MHz1H NMR spectra of racemic ethchlorvynol,1, have been studied at 28° in CDCl3solution with the achiral reagent tris(6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-3,5-octanedionato)europium(III).

ISSN:0038-7010    

DOI:10.1080/00387018608069321

出版商:Taylor & Francis Group    

年代:1986

数据来源: Taylor

ISSN:0038-7010    

DOI:10.1080/00387018608069322

出版商:Taylor & Francis Group    

年代:1986

数据来源: Taylor