Determines the bond dissociation energy for hydrogen chloride (HCl) through the use of threshold ion-pair production spectroscopy (TIPPS). Related studies on ion-pair formations in HCl; Description of extrapolated threshold; Analysis of HCl TIPPS spectra.Martin...
The bond‐energy‐bond‐order (BEBO) method of Johnston and Parr predicts ClHCl, BrHBr, and IHI are all bound and symmetric. When corrected for anharmonicity of the asymmetric stretch normal mode, it predicts the following vibrational frequencies in cm1(experimental results are in parentheses;sis...
The intensity of the HCl stretching vibration was monitored as a function of temperature, and the hydrogen bond energies and enthalpies were determined. The hydrogen bond energy for all four complexes was within 2.0 kJ mol-1 of 18.3 kJ mol-1, indicating that the hydrogen bond energy is only ...
In the case when the adherend has a similar composition, the effect of interfacial bond strength was evaluated by measuring the tearing energy or work of detachment as a function of cross-link density of the elastomers. The degree of cross-linking was varied from zero, when the two fully ...
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Calculations have also been performed on the free ion, where the energy minimum is found for a non-planar conformation with H-O-H angles of 116.6° and O-H distances of 0.96 Å. The effect of an external field is essentially to lengthen the O-H distances and decrease the H-O-H ...
Extended double zeta Gaussian basis SCF LCAO MO calculations have been performed on various configurations of the linearly hydrogen-bonded water dimer and two of the triplet clusters which occur in both cubic and hexagonal ices. A hydrogen bond energy of −4.72 kcal/mole was found for the dimer...
The method depends in some applications on evaluation of homonuclear single covalent bond energies not experimentally measurable; a means of such evaluation for major group elements is described, and the periodicity of their bond energies is demonstrated. In general, the total bond energy can be ...
of bond functions can lead to either an underestimate or an overestimate of the the bond energy. Optimum basis sets for each molecule were obtained, givingDevalues of 4.59 eV for HCl (expt. 4.62 eV) and 9.96 eV for N2(expt. 9.905 eV) at the estimated full Cl level. The quality of ...
Bond breaking requires energy, so we expect the value for ΔH to be positive for this step. In the second step of the reaction, two moles of H-Cl bonds are formed. Bond breaking liberates energy, so we expect the ΔH for this portion of the reaction to have a negative value. Using...