Potential-energy curve for molecules

Fig. 4a-d. Schematic representation of the potential energy curves for molecules dissociating into X + and X + Y. (a) The dissociation products X + Y are lower in energy than X2+ Y and the XY minimum energy is higher than X + XY is thermodynamically... 

Fig. 4. Potential energy curves for molecules Br2, HgCl2 and their anions formed in the electron jump mechanism (from D. R. Hardin et al.15 by permission of Taylor and... 

Potential energy curves for molecules with small and large force constants are compared in scheme 1. 

Figure A3.12.5. A model reaction coordinate potential energy curve for a fluxional molecule. (Adapted from [30].)...

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... 

The potential energy curve in Figure 6.4 is a two-dimensional plot, one dimension for the potential energy V and a second for the vibrational coordinate r. For a polyatomic molecule, with 3N — 6 (non-linear) or 3iV — 5 (linear) normal vibrations, it requires a [(3N — 6) - - 1]-or [(3A 5) -F 1]-dimensional surface to illustrate the variation of V with all the normal coordinates. Such a surface is known as a hypersurface and clearly cannot be illustrated in diagrammatic form. What we can do is take a section of the surface in two dimensions, corresponding to V and each of the normal coordinates in turn, thereby producing a potential energy curve for each normal coordinate. 

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 S-1. Form of a potential energy curve for diatomic molecule AB. VfrAa) is the potential energy, Tab is the intemuclear distance, is the equilibrium intemuclear distance, and D is the bond dissociation energy. (The zero point energy is neglected in the figure.)...

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

Fig. 5.—Potential energy curves for alkali halide molecules.

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

Fig. 7.—Potential energy curves for the carbon monoxide molecule.

Figure 6.34 shows potential energy curves for a hypothetical diatomic molecule X2, which approaches a surface, coming from the right-hand side of the diagram. First... 

The relationships between bond length, stretching force constant, and bond dissociation energy are made clear by the potential energy curve for a diatomic molecule, the plot of the change in the internal energy AU of the molecule A2 as the internuclear separation is increased until the molecule dissociates into two A atoms ... 

FIGURE 30. Potential energy curves for a neutral molecule M, and its radical cation M in the ground and first excited state (equilibrium distances with respect to an arbitrary coordinate q along which the three geometries differ). Note the shift in the M+ /(M+ ) energy difference AE on going from e/eq of M (AE = A/v from the PE spectrum of M) to qeq of M (AE corresponds to /-IM ,X from the EA spectrum of M+")... 

The first-row homonuclear diatomic molecules A2 of main-group elements (A = B, C, N, O, F) exhibit a well-known diversity of ground-state multiplicities, bond lengths, and bond energies. Calculated potential-energy curves for low-lying singlet and triplet states of these species are pictured in Fig. 3.27 and summarized in Table 3.13 (with comparison experimental values). Because these homonuclear... 

Figure 19.1 Potential energy curve for a diatomic molecule.

In the general case R denotes a set of coordinates, and Ui(R) and Uf (R) are potential energy surfaces with a high dimension. However, the essential features can be understood from the simplest case, which is that of a diatomic molecule that loses one electron. Then Ui(R) is the potential energy curve for the ground state of the molecule, and Uf(R) that of the ion (see Fig. 19.2). If the ion is stable, which will be true for outer-sphere electron-transfer reactions, Uf(R) has a stable minimum, and its general shape will be similar to that of Ui(R). We can then apply the harmonic approximation to both states, so that the nuclear Hamiltonians Hi and Hf that correspond to Ui and Uf are sums of harmonic oscillator terms. To simplify the mathematics further, we make two additional assumptions ... 

Figure 2.3 shows the potential energy curve for a diatomic molecule, often referred to as a Morse curve, which models the way in which the potential energy of the molecule changes with its bond length. 

Figure 4.1 Potential energy curves for the molecules AB, AB+, and AB-, showing the ionization energy and electron affinity of AB r is the A-B bond length, and v represents the vibrational quantum number.

The determining feature by which laser action can be efficiently obtained from this type of active medium is the fact that the atoms that form the dimmer are only bound in the excited state. Figure 2.9 shows a schematic diagram of the laser energy levels in a molecule of excimer. The laser transition is produced between two molecular electronic levels in which the potential energy curve for the fundamental state is repulsive. This ensures the population inversion. 

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.

Figure I. Potential energy curves for the N2 molecule, as described by the DZ basis set (113) (see refs 14, 16 and Table I for the numerical data see the text for further details).

---