Free atoms, spatial-energy parameter

In this research the attempt is made to estimate the energy of chemical bonds based on initial spatial-energy characteristics of free atoms with the help of the concept on spatial-energy parameter (P-parameter), taking into consideration their changes during the hybridization of atom orbitals. 

The analysis of various physical-chemical macro- and microprocesses results in the conclusion that in many cases the inverse values of kinetic or energy parameters of subsystems are added when estimating the resulting interaction of atom-molecular structures. Therefore tabulated (initial) values of spatial-energy parameters can be calculated based on the principle of addition of inverse values of energy components of free atom systems [3] ... 

The equation of the dependence of spatial-energy parameter of free atoms on their wave, spectral and frequency characteristics has been obtained. 

THE DEPENDENCE OF SOME THERMODYNAMIC CHARACTERISTICS UPON INITIAL SPATIAL-ENERGY PARAMETERS OF FREE ATOMS... 

The energy of chemical bond in simple and complex structures can be satisfactorily determined by means of P-parameter method based on initial spatial-energy characteristics of free atoms taking hybridization of their atom orbital into account. 

The establishment of connection between the structure and thermochemical parameters, as well as kinetic and thermochemical characteristics of interacting systems is of great importance [4, 5]. But the analysis of dependences between main parameters of chemical thermodynamics and spatial-energy characteristics of free atoms is still topical. 

If we set out to unravel surface chemical functionalities with high spatial resolution down to atomic detail, we also encounter various practical (technical) problems. It is fair to say that the technique development for direct space analysis (again, we exclude Fourier space methods) is still lagging much behind. Chemical force microscopy can be considered as a first step in the direction of a true description of surface chemical functionalities with high spatial resolution in polymers, primarily based on the chemically sensitive analysis of AFM data via adhesion mapping. At this point the detailed theory for force spectroscopy is not developed beyond the description of London forces. The consideration of the effect of polar functional groups in force spectroscopy (similar to difficulties with solubihty parameter and surface tension approaches for polar forces, as well as specific interactions) is still in its infancy. Instead, one must still rely on continuiun contact mechanics to couple measured forces and surface free energies. 

---