Hydrogen molecule potential energy curve

Kolos W and Wolniewicz L 1965 Potential energy curves for the X H. and Cn states of the hydrogen molecule J. Chem. Phys. 43 2429-41... 

It might be supposed that, since the potential energy curve for V2 is of a similar shape to that in Figure 6.38(a), if we excite the molecule with sufficiently high energy it will eventually dissociate, losing six hydrogen atoms in the process ... 

Figure 3.2 Potential energy curve for hydrogen molecule-ion...

Fig. 6.—Potential energy curves for hydrogen molecules. The electron-pair halide molecules. bond structures H F , etc., are...

Fig. 6-3S. Potential energy curves for water adsorption on metal surface in the states of molecules and hydrozjd radicals c = energy r = reaction coordinate solid curve = adsorption as water molecules and as partially dissociated hydroxj4 and hydrogen radicals broken curve = adsorption of completely dissociated oxygen and hydrogen radicals.

Fig. 6. Potential energy curve relative to the interconversion between ionic and covalent structure for the NHs-HCl complex (NH3 + HCl —> NH4 + C ). dNH represents the distance between the ammonia molecule nitrogen and the hydrogen of the HCl fragment involved in hydrogen bond along the axis (dNH ci HCi)- TZVP standard basis was employed. Energies and distances are in a.u.

Figure 1.2 Potential energy curves for the approach of a hydrogen molecule and of two hydrogen atoms to a metal surface E is the activation energy — AH is the heat of adsorption subscripts p and c are, respectively, physical adsorption and chemisorption.

Kolos W, Wolniewicz L (1966) Potential-energy curve for the B1 Ylt state °f (he hydrogen molecule. J Chem Phys 45 509-514... 

Occasionally, potential energy curves for bond stretching vibrations can be unusually flat as well. One special case is of particular importance in hydrogen-bonded complexes. At infinite intermolecular distance two states are possible in which the proton is either bound to molecule A or to molecule B. The two states are related by a proton transfer process ... 

Figure 2 Schematic potential energy curve for the hydrogen molecules with scale at bottom of the curve exaggerated to show relation between n = 0 vibrational energy levels of the four isotopic forms of the molecules. Note that molecules containing a heavy isotope are more stable (have higher dissociation energies) than molecules with a light isotope. Isotope fractionations between molecules are explained by differences in their zero-point energies...

Physisorption or physical adsorption is the mechanism by which hydrogen is stored in the molecular form, that is, without dissociating, on the surface of a solid material. Responsible for the molecular adsorption of H2 are weak dispersive forces, called van der Waals forces, between the gas molecules and the atoms on the surface of the solid. These intermolecular forces derive from the interaction between temporary dipoles which are formed due to the fluctuations in the charge distribution in molecules and atoms. The combination of attractive van der Waals forces and short range repulsive interactions between a gas molecule and an atom on the surface of the adsorbent results in a potential energy curve which can be well described by the Lennard-Jones Eq. (2.1). 

Figure. 90. Potential energy curve and vibrational energy levels for the hydrogen molecule. The vertical scale gives the differences in energy between adjacent vibrational levels...

The potential energy curve shown in Figure 30, for the hydrogen molecule has been obtained experimentally it is, however, desirable that such curves be represented by a mathematical equation. We have already seen that the parabolic curve only approximates to the potential energy curve at low values of the quantum number and the expression for the variation of energy with intemuclcar distance obtained by Heitler and London is also a poor approximation, and moreover, has only been derived for the case of the hydrogen molecule. Recourse has therefore to be made to the derivation of empirical equations. The attraction energy may be represented by an... 

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