Aliphatic hydrogen, correlation

Figure 3. Correlation of tar yield with aliphatic hydrogen (24) CCNY ( 3) ...

Solomon, P. R., Hobbs, R. H., Hamblen, D. G., Chen, W., La Cava, A. and Graff, R. A., "Correlation of Coal Volatile Yield with Oxygen and Aliphatic Hydrogen", Fuel, (to be published) ... 

Miyazawa et al. (92) related rates of decrease of aliphatic hydrogen protons during pyrolysis of ethylene tar pitch to formation of mesophase. Yokono et al, (93) used the model compound anthracene to monitor the availability of transferable hydrogen. Co-carboniza-tions of pitches with anthracene suggested that extents of formation of 9,10-dihydroanthracene could be correlated with size of optical texture. The method was then applied to the carbonization behaviour of hydrogenated ethylene tar pitch (94). This pitch, hydrogenated at 573 K, had a pronounced proton donor ability and produced, on carbonization, a coke of flow-type anisotropy compared with the coarse-grained mosaics (<10 ym dia) of coke from untreated pitch. 

The solubility of a compound is thus affected by many factors the state of the solute, the relative aromatic and aliphatic degree of the molecules, the size and shape of the molecules, the polarity of the molecule, steric effects, and the ability of some groups to participate in hydrogen bonding. In order to predict solubility accurately, all these factors correlated with solubility should be represented numerically by descriptors derived from the structure of the molecule or from experimental observations. 

Carbonaceous material (Fig. 12.8b) is intimately mixed with silicates and is very abundant (carbon abundance averages 13% and varies up to 50%) in CP IDPs. Some carbon is elemental (graphite), but C-H stretching resonances in infrared spectra show that aliphatic hydrocarbons are also present. Polycyclic aromatic hydrocarbons (PAHs) also occur. Nanodiamonds have been identified in cluster IDPs, but not in smaller CP IDPs. Enormous D/H and 15N/14N anomalies have been measured in bulk IDPs, and the hydrogen isotopic anomalies are correlated with organic-rich domains. Ratios of D/H as high as 25 times the solar ratio suggest the presence of molecular cloud materials. 

Abstract-—The hydrogen bonding chemical shift of the —OH proton of methyl alcohol has been separated into two parts, one due to the formation of dimer and the other to all other polymeric species. A molecule which is hydrogen bonded as dimer contributes only about one-third as much as a molecule in a higher polymer. The separation is based on correlation with the —OH stretching infrared data, and is confirmed by the examination of sterically hindered alcohols—both aromatic and aliphatic—which because of bulky substituents, can form dimers but not higher polymers. In these substances, the small H-bond shifts are also correlated with monomer-dimer equilibrium studies of the infrared spectra. 

The khietics of die reactions of 1 -halo-2.4-dinitrobcnzcncs with aliphatic amines have been used to probe solvent effects in mixtures of chloroform or dichloromethane with polar hydrogen-bond acceptors, such as DMSO. In these reactions, nucleophilic attack is rate limiting. Attempts to correlate reactivity with the empirical solvent... 

In addition, they found a good correlation with first-order simple molecular connectivity, but only for a congeneric series of aliphatic alcohols. They also investigated the approach of Magee (1991) in developing a mechanism-based QSAR, using hydrogen bond donation, molar refractivity, and components of log Kow this approach resulted in a correlation no better than that with log K0J (n = 49, R2 = 0.812, s = 0.271, F = 37.1). 

Similar but smaller effects of hydrogen concentration were observed with other aromatic and alkyl-aromatic trifluoromethyl ketones such as 2 and 3 (Table 2). On the contrary, in the hydrogenation of the aliphatic ketone 4 medium to high hydrogen pressure favoured the enantiodifferentiation. Note that this correlation is typical for the hydrogenation of a-ketoesters and other activated ketones over the Pt-CD system4. 

Numerous studies have attempted to relate the extent of spectral shift of the stretching band Vj to the strength of the hydrogen bond when different donors are used. In general, a reasonably good correlation exists as long as the electron pair donor molecules have similar structures. For example, if the bases are all aliphatic amines, a relationship can be written as... 

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