Bond Energies of H2 and

2-7 BOND ENERGIES OF H2 AND H2 Another useful experimental quantity that reflects electronic structure is bond-dissociation energy. The standard bond-dissociation energy 

The equilibrium intemuclear separation about which the nuclei vibrate is the standard bond length. 

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This simple wave function, so called the Heitler-London (HL) wave function, was able to account for about 66% of the bonding energy of H2, and performed a little better than the rival MO method that appeared almost at the same time. 

Plot the curve of the bond energy of H2 vs. intemuclear distance for the H2 molecule using the STO-3G, double zeta valence (DZV), and triple zeta valence (TZV) basis sets in the GAMESS implementation. 

Despite the high bond energy of H2, the molecule is readily cleaved at low temperature and pressure by many transition metal complexes, when two metal-... 

Thus the best work on the computation of the bond energy of H2 has given accuracy of about 0.1 ev. Present methods of computation are in error by about 2 ev when applied to H2 bond energy and improve to an error ot 1 ev only with great labor. Sec any texts on quantum mechanics. 

The triatomic molecular ion H3 was first detected and characterized by J. J. Thomson using mass spectrometry. Use the bond energy of H2 (432 kJ/mol) and the proton affinity of H2... 

From the enthalpy of vaporization of water at its standard boiling point and the bond enthalpies of H2 and O2, calculate the average O—H bond energy in liquid water, given that... 

Table 7.3 does list data for Li2, B2 and C2, but, as expected from above, Be2 is very difficult to observe experimentally. Li2 has a weak single bond with an estimated energy of 106 kJ mol. This is much lower than the bond energy of H2 because of the larger radius of the 2s orbitals compared with Is and the repulsion between the core states on the two Li atoms. This also leads to a very long bond length. 

Calculation of the bond energy of H2 with larger basis sets, and much more detailed coverage of quantum chemistry in general, can be found in ... 

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