Thermodynamic parameters of hydrogen

TABLE 14. Thermodynamic parameters of hydrogen-bonded complexes of p-FC6H4OH with sulphoxides and some other bases... 

IR spectra provide the possibility to observe the separate bands of free and bonded proton donor groups, molecular and ionic complexes formed after proton transfer, and importantly to access the thermodynamic parameters of hydrogen bond and proton transfer equilibria. The combination of several spectroscopic techniques (IR, multinuclear NMR, UV-VIS, all at variable temperatures) with computational analysis is very useful in the band assignment, determination of structure and the thermodynamic parameters and, ultimately, of reaction mechanisms. 

Bhattacharjee et al. [11] have calculated the thermodynamic parameters for hydrogenation of acrylonitrile-butadiene copolymer. 

Carbon dioxide is a symmetrical, linear triatomic molecule (0 = C=0) with a zero dipole moment. The carbon-to-hydrogen bond distances are about 1.16A, which is about 0.06A shorter than typical carbonyl double bonds. This shorter bond length was interpreted by Pauling to indicate that greater resonance stabilization occurs with CO2 than with aldehydes, ketones, or amides. When combined with water, carbonic acid (H2CO3) forms, and depending on the pH of the solution, carbonic acid loses one or two protons to form bicarbonate and carbonate, respectively. The various thermodynamic parameters of these reactions are shown in Table I. 

Thermodynamic parameters of the ideal-gas hydrogenation reactions for hydrocarbons and fullerene C60 are presented in Table 4.5. The enthalpies of C60 hydrogenation are within (-59 to -86) kJ per mol of H2 (A//"/n). These values are closer to similar values for aromatic hydrocarbons (-68 -f -69 kJmob1) than to those for alkenes and cycloalkenes (-110 5- -119 kJmob1). This fact is probably due to conjugation of double bonds in C60 in spite of non-aromaticity of this compound. The symmetryless hydrogenation entropies ASH /n are close for hydrocarbons and C60 (Table 4.5). 

The thermodynamic analysis allowed us to determine the most favorable parameters of hydrogenation-dehydrogenation cycles in the system C60 + 18 H2 = C60H36 under the conditions of thermodynamic control. 

Fourier IR spectroscopy has been exploited for the evaluation of hydrogen-bonding basicity constants (pAThb) in a series of 2-alkyl-5-aryltetrazoles 167 with respect to a reference proton donor (/>-fluorophenol) in tetrachloromethane solution, and also for estimation of some thermodynamic parameters of the equilibrium presented at Equation (15) <2006RJ01059>. The determined pAThb values of tetrazoles 167 fell into the range 0.9-1.4. These compounds... 

Effective kinetic and thermodynamic parameters of propylene epoxidation with hydrogen peroxide on biomimic (perFTPhPFe(III)0H/Al203)... 

Table 7-3. Thermodynamic Parameters of Atmospheric-Pressure Gas-Phase Reactions Characterizing Step-by-Step Hydrogen Reduction of Uranium Hexafluoride to Uranium... 

Loren E. Bollinger and Rudolph Edse, Thermodynamic Calculations of Hydrogen-Oxygen Detonation Parameters for Various Initial Pressures, ARS Journal, February 1961, pp. 251-256. 

---