caa a22 4500 475821998 CHVBK 20180406123821.0 cr unu---uuuuu 170329e20000301xx s 000 0 eng 10.1007/BF02509610 doi (NATIONALLICENCE)springer-10.1007/BF02509610 Mechanisms of creation and destruction of polyhalide V centers in irradiated AHC [Elektronische Daten] [D. Salikhodzhaev, A. Akylbekov, K. Kaktybekov, T. Nurakhmedov] The mechanisms of creation and destruction of polyhalide V centers in AHC were modeled by the MNDO semiempirical quantum-chemical method. It is shown that X 3 − molecules dissociate from the ground state into X 2 0 and X− and from the triplet state into X 2 − and X0, whereas X 5 − and X 7 − molecules dissociate into X 3 − and X 2 0 and X 5 − and X 2 0 , respectively. At room temperatures, X 3 − or larger aggregates, which consist only of X 3 − centers, form stable polyhalide V centers. It is shown that the thermal stability decreases when going along the series X 3 − , X 5 − , and X 7 − . The radiation-induced instability of stable F centers in AHC at room temperatures is associated with the destruction of X 3 − centers and the thermal instability of X 5 − and X 7 − centers. Kluwer Academic/Plenum Publishers, 2000 Salikhodzhaev D. aut Akylbekov A. aut Kaktybekov K. aut Nurakhmedov T. aut Russian Physics Journal Kluwer Academic Publishers-Plenum Publishers 43/3(2000-03-01), 211-214 1064-8887 43:3<211 2000 43 11182 https://doi.org/10.1007/BF02509610 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1007/BF02509610 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Salikhodzhaev D. aut NATIONALLICENCE 700 1- Akylbekov A. aut NATIONALLICENCE 700 1- Kaktybekov K. aut NATIONALLICENCE 700 1- Nurakhmedov T. aut NATIONALLICENCE 773 0- Russian Physics Journal Kluwer Academic Publishers-Plenum Publishers 43/3(2000-03-01), 211-214 1064-8887 43:3<211 2000 43 11182 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer