Вид документа : Статья из журнала Шифр издания : 53/G 15 Автор(ы) : Galashev A. E. Заглавие : Spectral characteristics of water clusters in the presence of nitrate ions Место публикации : Colloid Journal (Translation of Kolloidnyi Zhurnal). - 2012. - Vol.74, №6. - С. 655-662 ББК : 53 Предметные рубрики: ФИЗИКА Ключевые слова (''Своб.индексиров.''): dielectric permittivities--flexible molecules--ir absorption coefficient Аннотация: Nitrate ion adsorption by water clusters is studied using the molecular dynamics method combined with a polarizable model of flexible molecules. It is established that successive addition of one to six NO 3 - ions to an (H2O)50 cluster decreases the averaged electrical potential related to the center of masses of water molecules. The (H2O)50 cluster retains its thermodynamic stability, provided that no more than three nitrate ions are added to it. After NO 3 - ions are adsorbed, the real and imaginary components of the dielectric permittivity and the intensity of the Raman spectrum decrease, while the intensity of the IR absorption spectrum increases. Moreover, ion adsorption by the water cluster reduces the IR absorption coefficient and refractive index Доп.точки доступа: Галашев Александр Евгеньевич; Институт теплофизики УрО РАН