Alkane solvent molecule

Many studies have been done on unstable or transient H2 and other a complexes using techniques such as flash photolysis. As in the above cases, H2 displaces a weak ligand, which, e.g., can be an alkane solvent molecule ... 

Lugovskoy et al. [15] investigated the mechanism and kinetics of the exchange of ligands, L, with an alkane solvent molecule, solv, that is weakly bound to a transition metal center, [M] ... 

The accuracy of these methods is tested by finding the mean absolute error between the computed and experimental free energies of solvation. The SM4 method does well for neutral molecules in alkane solvents with a mean absolute error of 0.3 kcal/mol. For neutral molecules, the SM5 methods do very well with mean absolute errors in the 0.3 to 0.6 kcal/mol range, depending on the method and solvent. For ions, the SMI method seems to be most accurate with... 

Liquid solvents in this picture may be considered as islands in the northern hemisphere, because the state of molecules in a liquid solvent is quite definitely closer to the COSMO state than to the vacuum. The only exception may be alkane solvents, which are located somewhere close to the equator due to their fully nonpolar character. Solids may be considered as sunken islands and their depths below sea level may be considered as AG s. As discussed before, the methods to explore this depth are rather limited, but we can be quite sure that in general the depth below sea level will be much smaller than the distance of the islands from the North Pole or from each other. We now explore the methods to go from the sea level position of any island to the North Pole or vice versa. Given such a method we will be able to transfer a compound from any liquid or supercooled liquid state to any other such state. 

Sugiyama, T., Takeuchi, T., Suzuki, Y. (1975) Thermodynamic properties of solute molecules at infinite dilution determined by gas-liquid chromatography. I. Intermolecular energies of w-alkane solutes in C28 - C36 w-alkane solvents. J. Chromatogr. 105,265-272. 

The electron will be solvated in a region where the solvent molecules are appropriately arranged. There must be a cluster of electrons of a size of 4-5 to support the formation of the solvated electron from the results of Gangwer et al., [23], Baxendale [24,25], and Kenney-Wallace and Jonah [16]. This behavior does not depend on the specific alcohol or alkane and even occurs in supercritical solutions, as has been shown in experiments done using mixtures of supercritical ethane-methanol mixtures [19]. Experiments have also shown that the thermodynamically lowest state might not be reached. For example, the experiments of Baxendale that measured the conductivity of the solvated electron in alcohol-alkane mixtures showed that when there was a sufficient concentration of alcohols to form dimers, there was a sharp decrease in the mobility of the electron [24,25]. This result showed that the electron was at least partially solvated. However, the conductivity was not as low as one would expect for the fully solvated electron, and the fully solvated electron was never formed on their time scale (many microseconds), a time scale that was sufficiently long for the electron-alcohol entity to encounter sufficient alcohols to fully solvate the electron. Similarly, the experiments of Weinstein and Firestone, in mixed polar solvents, showed that the electron that was observed depended on the initial mixture and would not relax to form the most fully solvated electron [26]. 

In the previous four sections, several solvent radical ions that cannot be classified as molecular ions ( a charge on a solvent molecule ) were examined. These delocalized, multimer radical ions are intermediate between the molecular ions and cavity electrons, thereby bridging the two extremes of electron (or hole) localization in a molecular liquid. While solvated electrons appear only in negative-EAg liquids, delocalized solvent anions appear both in positive and negative-EAg liquids. Actually, from the structural standpoint, trapped electrons in low-temperature alkane and ether glasses [2] are closer to the multimer anions because their stabilization requires a degree of polarization in the molecules that is incompatible with the premises of one-electron models. 

The amount of asphaltene precipitate from one crude oil is dependent on the carbon number of the alkane solvent. A decrease in the solvent carbon number results in an increase in the asphaltene precipitate. This observation would suggest that asphaltenes and resins are not greatly different materials. Rather, a continuum exists in the solubility behavior. An increase in boiling point in heavy oil is generally accompanied by an increase in both aromaticity and in the concentration of heteroelements or polar aromatic molecules (Corbett, 1969). Similarly, there is a gradual... 

Among these examples, a general trend is always observed third-phase formation is favored by larger alkane diluent molecules, the LOC is lower with a linear alkane chain diluent than with branched alkanes, and, generally, the third phase is prevented when aromatic diluents are used. In the language of surface wetting, short-chain solvents better wet the protruding chains. 

Previous studies have shown that there is a correlation between the enthalpy of hydration of alkanes and their accessible surface area [30,31] or related magnitudes. Moreover, relationships between the hydration numbers calculated from discrete simulations for hydrocarbons and both the free energy and enthalpy of hydration of these molecules have also been reported [32] and have been often used to evaluate solvation enthalpies. Analysis of our results, illustrates the existence of a linear relationship between A//n eie and the surface of the van der Waals cavity,. SVw, defined in MST computations for the calculation of the non-electrostatic contributions (Figure 4-1). In contrast, no relationship was found for the electrostatic component of the hydration enthalpy (A//eie data not shown). Clearly, in a first approximation, one can assume that the electrostatic interactions between solute and solvent can be decoupled from the interactions formed between uncharged solutes and solvent molecules. 

Photolysis of a CO ligand from the parent compound initiates the reaction. The resultant >j3-Tp Rh(CO) complex has a coordinatively vacant site that is quickly occupied by a solvent molecule. The time scale for such a solvation process is generally on the order of 2 ps in room temperature liquids (28). The solvated 3-Tp Rh(CO)(S) (S = alkane) complex exhibits a single CO-stretching band (vCo) at 1972 cm 1 (the v = 0 1 band) as shown in Fig. 4a. For this particular system the large... 

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