Vibrational spectra and rotational isomerism of 2,2-difluoropropyl chloride

Infrared spectra were obtained for 2,2-difluoropropyl chloride in the neat liquid, vapor, and solid states, and Raman spectra were obtained for the liquid. This compound exists as a mixture of trans and gauche rotamers in the vapor and liquid states, but only the trans form is present in the solid. Vibrational assignments were made for the two rotamers with the aid of zero-order normal coordinate calculations using force constants transferred from 2,2-difluoropropane and 1,1,1-trifluoroethyl chloride.     

Vibrational analysis of 1,2-dichloroalkanes

IR and Raman spectra have been obtained for 1,2-dichlorobutane and 1,2-dichloro- pentane. The butane crystallizes in the P_XS_XH conformation, but the pentane could not be made to crystallize. Normal coordinate calculations were made for the P_XS_XH, P_CS_HH, and P_HS_HH conformers of these two compounds and for 1,2-dichloropropane. The ob- served spectra were interpreted with the aid of these calculations, and it was concluded that all three conformers exist for each of these compounds. The force field that was obtained should be applicable to other 1,2-dichloroalkanes.     

Bayesian priors based on a parameter transformation using the distribution function

One of the tasks of the Bayesian consulting statistician is to elicit prior information from his client who may be unfamiliar with parametric statistical models. In some cases it may be more illuminating to base a prior distribution for parameter on the transformed version F(/), where F is the data distribution function and v is a designated reference value, rather than on directly. This approach is outlined and explored in various directions to assess its implications. Some applications are given, including general linear regression and transformed linear models.     

A mass spectrometric study of the vaporization of boron phosphate (BPO(4))

The vaporization behavior of boron phosphate has been studied by using Knudsen effusion mass spectrometry. The vapor over BPO(4) consists of B(2)O(3), P(4)O(10), PO(2), BPO(4) (platinum cell) and B(2)O(3), PO, PO(2), BPO(3), BPO(4) (molybdenum cell). Standard enthalpies of formation and atomization (kJ/mol) were derived for BPO(4) (g) (-1000 +/- 15 and 2863 +/- 16) and for BPO(3) (g) (-731 +/- 15 and 2347 +/- 16), respectively. Copyright 1999 John Wiley & Sons, Ltd.     

Microwave heating of ceramic composites

The microwave heating of a ceramic composite is modelled andanalysed. The composite consists of many small ceramic particlesembedded in a ceramic cement. The composite is assumed to bewell insulated, and each particle is assumed to be in imperfectthermal contact with the surrounding cement. Based on thesetwo assumptions an asymptotic theory exploiting the small Biotnumber and small non-dimensional contact conductance is developed.Our asymptotic theory yields a set of nonlinear partial differentialequations which govern the temperature in the composite. Theseare reduced to a set of coupled nonlinear ordinary differentialequations in which the surface area of each particle entersas a parameter. Recent experiments with such composites haveshown that the steady-state temperature of the composite isstrongly dependent upon the radii of the embedded particles.Our model captures this effect. In fact, our analysis showsthat the assumption of imperfect thermal contact between theparticles and the ceramic cement is essential for this trendto be established.     

Angular distributions for (3,4)(Lambda)H bound states in the (3,4)He(e,e(')K+) reaction

The (3,4)(Lambda)H and (4)(Lambda)H hypernuclear bound states have been observed for the first time in kaon electroproduction on (3,4)He targets. The production cross sections have been determined at Q(2)=0.35 GeV2 and W=1.91 GeV. For either hypernucleus the nuclear form factor is determined by comparing the angular distribution of the (3,4)He(e,e(')K+)(3,4)(Lambda)H processes to the elementary cross section 1H(e,e K+)Lambda on the free proton, measured during the same experiment.     

Conformational studies of 2-methylbutyronitrile and 3-methyl-1-pentyne by vibrational spectroscopy and molecular mechanics

Vibrational spectra were obtained for the structurally similar compounds 2-methylbutyronitrile and 3-methyl-1-pentyne, and vibrational assignments were made with the aid of normal coordinate calculations. Molecular mechanics calculations were also made, and each compound was shown to exist as a mixture of three conformers, with the most stable conformer being the one with the two methyl groups trans to each other. Results of the calculations are given.