Atomic weights, table Atom sizes

For molecules of molecular weight above 20,000 g/mol, X-ray diffraction remains the only experimental approach available to obtain detailed and reliable three-dimensional atomic models. The major steps of the method include the obtention of large and well-ordered crystals, their exposure to X-rays and collection of diffraction data and the phasing of these data to obtain by Fourier analysis a three-dimensional view (or map) of the electron density of the molecule. Finally a three-dimensional atomic model of the protein is fitted like a hand in a glove within this map, using a kit containing all the available biochemical and spectroscopic information (Table 6.2). The reliability of the final atomic model is of course dependent on the qnality of the electron density map. This qnality depends on the number of X-ray data per atom and on the resolution and accnracy of these data, which in turn are highly dependent on the size and quality of the crystals. 

To evaluate further the CAMD results, a number of atomic and chemical parameters from each structure (number of atoms, fractions of aromatic carbon and hydrogen, weight fraction or each atomic species, empirical formula) were compared with the original literature for each structure. This provided a useful check on the accuracy of the computer models. Results of the computer analyses for the four coal structures are given in Table I. The total numbers of atoms only appear as guides to the size and complexity of each structure, and bear no relationship to the size of a "coal molecule" or a decomposition product. 

Moreover, the Relative Size argument also applies to those divalent iodides which are approximately close-packed arrays of iodide (cp. Wyckoff 24)). The following table shows for such compounds the gram-formula weights, the X-ray determined densities, and hence the volume Vanion (cc/gm/atom) occupied by the iodide gram/ion, which has a minimum value of about 28 cc. 

The porous volumes measured by N2 adsorption are listed in Table 3. After the boronation, the total porous volumes (Vt) of the samples increase, corresponding to the increase of benzene adsorption capacity mentioned above. This should be resulted from the following aspects (1) The average mass of zeolite crystallite decrease and the number of crystal particles in unit weight of sample increases after the boronation owing to a limited introduction of trivalent atoms and Na+cations as counterions, as well as a severe dissolution of silicon. Thus, the total porous volume (mL/g) and the adsorption capacity increase. (2) The transformation of pore size occurs during the boronation. As shown in Table 3, the mesoporous volumes increase and the microporous volumes decrease after the boronation, meaning that some micropores are developed into mesopores due to the removal of silicon from the framework. This is also one of the important reasons why the total porous volumes as well as the adsorption capacities increase after the boronation. 

Table I summarizes comparisons between asphaltenes derived from bituminous coal liquefaction and those derived from petroleum crudes. The molecular size and atomic H/C ratios suggest a molecular profile quite different for the two asphaltenes. The ranges represent, as best as could be found, reasonable extremes for each of the properties. We are well aware that the number-average molecular weight of petroleum asphaltenes has been influenced by aggregate formation. To overcome this effect, molecular weight determinations should be made in dilute noninteracting solvents (e.g., methylene chloride), and solutions should be filtered or ultracentrifuged in helium-degassed solvents.

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