The crystal structure of auramine perchlorate: correlation of the results with specular reflection spectroscopy.
The x-ray analysis of auramine perchlorate has been performed in order to establish the orientation of the cationic chromophoric group in the crystal for comparison with the orientation that was proposed on the basis of specular reflection studies. The compound crystallizes with two molecules per unit cell in space group P1 and cell parameters a = 8.86 A, b = 9.69 A, c = 11.27 A, alpha = 97 degrees 40', beta = 99 degrees 34', and gamma = 106 degrees 16'. The orientation of the chromophore is in good agreement with the crystal model. Other features of the structure are the hydrogen bonding scheme of the perchlorate ion, the highly distorted chromophoric group, and the planar dimethylamine substituents.
Structural Features from Reflection Spectra: Orientation of 1, 3,-bis-(Dimethylamino) trimethinium Perchlorate Molecules in the Crystal
Abstract If the orientation of a molecular electronic transition moment with respect to the molecular framework is known, reflection spectra of crystalline samples on various faces may be used to locate the molecules in question. This can be done through projection of the transition moment on the faces, or through use of the optical indicatrix. The two methods are briefly compared, and the preferred indicatrix method is applied to crystals of the dye 1,3-bis-(dim-ethylamino)trimethinium perchlorate. Along each principal axis of the indicatrix, best fit values for reasonant frequency, plasma frequency, and damping constant are obtained in the frequency range of the first singlet. Parameters of the crystal structure having to do with the orientation of the dye molecules are then deduced from this information.
Organic constituents in process water from the in-situ retorting of oil from oil-shale kerogen
Capillary-column gas-chromatography/mass-spectrometry (GC/MS) was performed on the acid, base, and neutral fractions o'f liquid- and particulate-phase methylene chloride extracts of a composite sample of raw process water collected from separator Tank 6 by the Laramie Energy Technology Center. Of. the 160 extractable and chromatographable organic comP.ounds tentatively :identified, the following compou~d classes were found· (listed in decreasing order of. abundance):