TITLE:
Contribution to the understanding effects of weak electrical phenomena
AUTHORS:
Józef Mazurkiewicz, Piotr Tomasik
KEYWORDS:
Electronic Emission Spectra; Surface Effect; ZINDO/S Spectra Simulations
JOURNAL NAME:
Natural Science,
Vol.2 No.11,
November
30,
2010
ABSTRACT: Electronic emission spectra of N2, (N2)2, (N2)5 O2, (O2)2, (O2)5, H2O, (H2O)5, CO2, (CO2)2, CO2..H2O, NH3 and NH3.H2O situated in the electric field of 0.001, 0.005, 0.01 0.05 and 0.1 a.u. were simulated involving Monte Carlo optimization followed by the ZINDO/S approach. The simulated spectra showed irregular dependence on the energy of the electric field applied. Molecules without influence of the electric field emit in the vacuum ultraviolet region. Applied electric field only in case of (O2)5 generated transitions above 200 nm. The mapping of isosurface of the investigated molecules revealed that the electric field applied redistributed the charge densities in the molecules in the manner approximately parallel to the energy of the field. Applied electrical field resulted in an increase in the water acidity and ammonia basicity.