A comparative study of the ground state internuclear potentials of alkali hydrides and estimation of dissociation energies with the use of the RPC (reduced potential curve) method

1985 ◽  
Vol 83 (11) ◽  
pp. 5486-5494 ◽  
Author(s):  
F. Jenč ◽  
B. A. Brandt
Keyword(s):  
Comparative Study ◽  
Ground State ◽  
Potential Curve ◽  
Dissociation Energies ◽  
Curve Method

scholarly journals The thermochemistry of carbon: valence states, heats of sublimation and energies of linkage

1946 ◽  
Vol 187 (1010) ◽  
pp. 337-357 ◽  
Keyword(s):  
Ground State ◽  
Electronic Configuration ◽  
Dissociation Energies ◽  
True Value ◽  
Valence States ◽  
Chemical Combination ◽  
The Right ◽  
Right Order ◽  
Unambiguous Assignment ◽  
Apparent Conflict

The controversy which exists at the present time between the figures 125 and 170 kcal./g.- atom for the latent heat of sublimation of carbon into monatomic vapour in the ground state originates largely from the neglect to take into consideration the energy required to raise the carbon atoms from the ground ( 3 P ) state to the lowest tetravalent ( 5 S ) electronic configuration corresponding to that in which it is normally found in chemical combination. Consideration of the energies of removal of a hydrogen atom from the methane and ethane molecules and of the energies of reorganization of the resulting radicals leads to the figure 190 ± about 10 kcal. for L 2 , the heat of sublimation into free atoms in the 5 S state. This in turn leads to a satisfactory and unambiguous assignment of values to bond energies (as distinct from dissociation energies) which can now be expressed with an uncertainty of not more than a few kcal. In the light of the valency distinction there remains no sound evidence to maintain the higher value put forward for L 1 and 125 kcal. is unquestionably of the right order. There are strong indications that an earlier estimate of 100 kcal. for the energy level of the 5 S state above the 3 P (ground) state is about 50 % in excess of the true value. The necessity for establishing this branch of thermochemistry on a sound theoretical and experimental footing has long been a very obvious need. The scheme here suggested reconciles points hitherto in apparent conflict, and brings virtually all established experimental knowledge into alignment.

scholarly journals Study of sub-barrier fusion of 36S+50Ti,51V systems

2019 ◽  
Vol 223 ◽  
pp. 01013
Author(s):  
Giulia Colucci ◽  
Giovanna Montagnoli ◽  
Alberto M. Stefanini ◽  
Kouichi Hagino ◽  
Antonio Caciolli ◽  
...  
Keyword(s):  
Experimental Data ◽  
Comparative Study ◽  
Excitation Function ◽  
Ground State ◽  
Weak Coupling ◽  
Coupling Scheme ◽  
Excitation Functions ◽  
Coupled Channels ◽  
Barrier Distribution ◽  
Good Agreement

A detailed comparative study of the sub-barrier fusion of the two near-by systems 36S+50Ti,51V was performed at the National Laboratories of Legnaro (INFN). Aim of the experiment was the investigation of possible effects of the non-zero spin of the ground state of the 51V nucleus on the sub-barrier excitation function, and in particular on the shape of the barrier distribution. The results sh w that the two measured excitation functions are very similar down to the level of 20 - 30 μb. The same is observed for the two barrier distributions. Coupled-channels calculations have been performed and are in good agreement with the experimental data. This result indicates that the low-lying levels in 51V can be interpreted in the weak-coupling scheme, that is, 51V(I) = 50Ti(2+)⊗ p(1 f7/2).

On a Universal Potential Energy Function and the Importance of Ionic Structures for the Ground State of Molecules

1982 ◽  
Vol 37 (9) ◽  
pp. 971-981 ◽  
Author(s):  
G. Van Hooydonk
Keyword(s):  
Potential Energy ◽  
Ground State ◽  
Energy Function ◽  
Potential Energy Function ◽  
Covalent Bonding ◽  
Dissociation Energies ◽  
Reasonable Approximation ◽  
Ionic Dissociation ◽  
Vibrational Levels ◽  
Better Than

Abstract The Kratzer-Fues-Varshni-V-potential, applied to ionic dissociation energies, is shown to yield rather accurate potential energy curves in the bonding region for H2, HF, LiH, Li2 and LiF. Vibrational levels, calculated by this ionic approximation to the ground state of widely differing molecules, nearly coincide with RKR-data. At the repulsive side of the curve and up to 2re, the agreement with RKR-curves is even better than for Morse's curve, also for the "covalent" molecules H2 and Li2. Calculated spectroscopical constants αe and ωeχe are far better than those calculated with Morse's function. Even the existence of a maximum in the potential curve at larger r-values seems not in confict with an ionic approximation. From the universal character of the function used, it is concluded that a reasonable approximation for the ground state of all molecules considered is one in terms of ionic structures, even for H2 and especially for Li2. According to the present results, the term “covalent bonding” seems to be definitely superfluous, as the usually made distinction between ionic and covalent bonding is more appearant than real.

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