680 Структура и динамика молекулярных систем, 2007 г., Выпуск №1 ɍȾɄ 539.193+547.879.118 ɂɁɍɑȿɇɂȿ ȼɊȿɆȿɇɇɕɏ ȾɂȺɉȺɁɈɇɈȼ ȼ ɊȿȺɄɐɂɂ ȻɂɆɈɅȿɄɍɅəɊɇɈȽɈ ȼɁȺɂɆɈȾȿɃɋɌȼɂə ɉɊɈɂɁȼɈȾɇɕɏ ɎɈɋɎɂɇȺ ɋ ɆɈɅȿɄɍɅɈɃ ɋS2 ɆȿɌɈȾɈɆ ɉɊəɆɈɃ ɆɈɅȿɄɍɅəɊɇɈɃ ȾɂɇȺɆɂɄɂ1 Ʉɥɟɤɨɜɤɢɧɚ ȼ.ȼ.1, Ⱥɦɢɧɨɜɚ Ɋ.Ɇ.1, ɋɚɜɨɫɬɢɧɚ Ʌ.ɂ.2 1 2 Ʉɚɡɚɧɫɤɢɣ ɝɨɫɭɞɚɪɫɬɜɟɧɧɵɣ ɭɧɢɜɟɪɫɢɬɟɬ Ʉɚɡɚɧɫɤɢɣ ɮɢɡɢɤɨ-ɬɟɯɧɢɱɟɫɤɢɣ ɢɧɫɬɢɬɭɬ ɢɦ. ȿ.Ʉ. Ɂɚɜɨɣɫɤɨɝɨ ɂɡɭɱɟɧɢɟ ɜɪɟɦɟɧɧɵɯ ɞɢɚɩɚɡɨɧɨɜ ɞɢɧɚɦɢɱɟɫɤɢɯ ɩɪɨɰɟɫɫɨɜ, ɩɪɨɬɟɤɚɸɳɢɯ ɜ ɦɨɥɟɤɭɥɹɪɧɵɯ ɫɢɫɬɟɦɚɯ, ɹɜɥɹɟɬɫɹ ɨɞɧɨɣ ɢɡ ɚɤɬɭɚɥɶɧɵɯ ɡɚɞɚɱ ɫɨɜɪɟɦɟɧɧɨɣ ɯɢɦɢɱɟɫɤɨɣ ɮɢɡɢɤɢ. ɗɬɨɦɭ ɫɩɨɫɨɛɫɬɜɭɸɬ ɢɧɬɟɧɫɢɜɧɵɟ ɷɤɫɩɟɪɢɦɟɧɬɚɥɶɧɵɟ ɢɫɫɥɟɞɨɜɚɧɢɹ ɜ ɨɛɥɚɫɬɢ ɨɩɬɢɱɟɫɤɨɣ ɫɩɟɤɬɪɨɫɤɨɩɢɢ ɜ ɩɢɤɨ- ɢ ɮɟɦɬɨɫɟɤɭɧɞɧɨɦ ɜɪɟɦɟɧɧɵɯ ɞɢɚɩɚɡɨɧɚɯ [1,2]. ȼ ɧɚɫɬɨɹɳɟɟ ɜɪɟɦɹ ɞɥɹ ɬɟɨɪɟɬɢɱɟɫɤɨɝɨ ɢɫɫɥɟɞɨɜɚɧɢɹ ɩɪɨɫɬɪɚɧɫɬɜɟɧɧɨɝɨ ɢ ɷɥɟɤɬɪɨɧɧɨɝɨ ɫɬɪɨɟɧɢɹ ɦɨɥɟɤɭɥ, ɚ ɬɚɤɠɟ ɷɜɨɥɸɰɢɢ ɦɨɥɟɤɭɥɹɪɧɨɣ ɫɢɫɬɟɦɵ ɜɨ ɜɪɟɦɟɧɢ ɲɢɪɨɤɨ ɩɪɢɦɟɧɹɸɬɫɹ ɦɟɬɨɞɵ ɤɜɚɧɬɨɜɨɣ ɯɢɦɢɢ ɢ ɦɨɥɟɤɭɥɹɪɧɨɣ ɞɢɧɚɦɢɤɢ. ɐɟɥɶ ɞɚɧɧɨɣ ɪɚɛɨɬɵ ɡɚɤɥɸɱɚɥɚɫɶ ɜ ɫɨɜɦɟɫɬɧɨɦ ɩɪɢɦɟɧɟɧɢɢ ɦɟɬɨɞɨɜ ɤɜɚɧɬɨɜɨɣ ɯɢɦɢɢ ɢ ɦɟɬɨɞɚ ɦɨɥɟɤɭɥɹɪɧɨɣ ɞɢɧɚɦɢɤɢ [3,4] ɞɥɹ ɢɡɭɱɟɧɢɹ ɪɟɚɤɰɢɢ ɛɢɦɨɥɟɤɭɥɹɪɧɨɝɨ ɜɡɚɢɦɨɞɟɣɫɬɜɢɹ ɬɪɢɦɟɬɢɥɮɨɫɮɢɧɚ ɫ ɫɟɪɨɭɝɥɟɪɨɞɨɦ, ɜ ɪɟɡɭɥɶɬɚɬɟ ɤɨɬɨɪɨɣ ɨɛɪɚɡɭɟɬɫɹ ɦɨɥɟɤɭɥɚ ɛɟɬɚɢɧɚ. ɗɬɚ ɪɟɚɤɰɢɹ ɦɨɠɟɬ ɫɥɭɠɢɬɶ ɭɞɨɛɧɨɣ ɦɨɞɟɥɶɸ ɞɥɹ ɢɡɭɱɟɧɢɹ ɪɟɚɤɰɢɣ ɫ ɭɱɚɫɬɢɟɦ ɛɨɥɟɟ ɫɥɨɠɧɵɯ ɩɪɨɢɡɜɨɞɧɵɯ ɮɨɫɮɢɧɚ, ɞɥɹ ɤɨɬɨɪɵɯ ɢɦɟɸɬɫɹ ɷɤɫɩɟɪɢɦɟɧɬɚɥɶɧɵɟ ɞɚɧɧɵɟ ɨ ɤɢɧɟɬɢɤɟ ɯɢɦɢɱɟɫɤɢɯ ɪɟɚɤɰɢɣ [5]. ȼɵɫɨɤɨ ɥɚɛɢɥɶɧɚɹ ɷɥɟɤɬɪɨɧɧɚɹ ɫɬɪɭɤɬɭɪɚ ɚɬɨɦɚ ɮɨɫɮɨɪɚ ɫɩɨɫɨɛɫɬɜɭɟɬ ɲɢɪɨɤɨɦɭ ɪɚɡɧɨɨɛɪɚɡɢɸ ɮɨɫɮɨɪɨɪɝɚɧɢɱɟɫɤɢɯ ɫɨɟɞɢɧɟɧɢɣ ɫ ɩɪɚɤɬɢɱɟɫɤɢ ɩɨɥɟɡɧɵɦɢ ɮɢɡɢɤɨ-ɯɢɦɢɱɟɫɤɢɦɢ ɫɜɨɣɫɬɜɚɦɢ. ȼ ɤɚɱɟɫɬɜɟ ɧɚɱɚɥɶɧɨɝɨ ɷɬɚɩɚ ɞɥɹ ɞɚɥɶɧɟɣɲɟɝɨ ɢɡɭɱɟɧɢɹ ɞɢɧɚɦɢɱɟɫɤɢɯ ɩɪɨɰɟɫɫɨɜ ɧɚɦɢ ɛɵɥɢ ɩɪɨɢɡɜɟɞɟɧɵ ɪɚɫɱɟɬɵ ɩɪɨɫɬɪɚɧɫɬɜɟɧɧɵɯ ɫɬɪɭɤɬɭɪ ɪɟɚɝɟɧɬɨɜ ɢ ɩɪɨɞɭɤɬɚ ɪɟɚɤɰɢɢ (ɪɢɫ. 1) ɦɟɬɨɞɚɦɢ ɫɨɜɪɟɦɟɧɧɨɣ ɤɜɚɧɬɨɜɨɣ ɯɢɦɢɢ. Ɋɚɫɱɟɬ ɫɬɚɰɢɨɧɚɪɧɵɯ ɬɨɱɟɤ ɧɚ ɩɨɜɟɪɯɧɨɫɬɢ ɩɨɬɟɧɰɢɚɥɶɧɨɣ ɷɧɟɪɝɢɢ ɢɡɭɱɚɟɦɨɣ ɦɨɥɟɤɭɥɹɪɧɨɣ ɫɢɫɬɟɦɵ ɜ ɨɫɧɨɜɧɨɦ ɫɨɫɬɨɹɧɢɢ ɩɪɨɜɨɞɢɥɫɹ ɜ ɩɪɢɛɥɢɠɟɧɢɢ ɧɟɨɝɪɚɧɢɱɟɧɧɨɝɨ ɦɟɬɨɞɚ ɏɚɪɬɪɢ-Ɏɨɤɚ-Ɋɭɬɚɧɚ ɜ ɩɚɪɚɦɟɬɪɢɡɚɰɢɢ PM3 ɢ ɦɟɬɨɞɨɦ ɮɭɧɤɰɢɨɧɚɥɚ ɩɥɨɬɧɨɫɬɢ ɧɚ ɭɪɨɜɧɟ B3lyp-6-31G ɫ ɨɩɬɢɦɢɡɚɰɢɟɣ ɜɫɟɯ ɝɟɨɦɟɬɪɢɱɟɫɤɢɯ ɩɚɪɚɦɟɬɪɨɜ ɛɟɡ ɨɝɪɚɧɢɱɟɧɢɹ ɩɨ ɫɢɦɦɟɬɪɢɢ. Ɉɬɦɟɬɢɦ, 1 Ɋɚɛɨɬɚ ɜɵɩɨɥɧɟɧɚ ɩɪɢ ɮɢɧɚɧɫɨɜɨɣ ɩɨɞɞɟɪɠɤɟ ɝɪɚɧɬɚ ɇɒ-6213.2006.2. Раздел 3 681 ɱɬɨ ɜ ɦɨɥɟɤɭɥɟ ɬɪɢɦɟɬɢɥɮɨɫɮɢɧɚ ɚɬɨɦ ɮɨɫɮɨɪɚ ɬɪɟɯɤɨɨɪɞɢɧɢɪɨɜɚɧ, ɚ ɜ ɛɟɬɚɢɧɟ ɚɬɨɦ ɮɨɫɮɨɪɚ ɱɟɬɵɪɟɯɤɨɨɪɞɢɧɢɪɨɜɚɧ. Ɋɢɫ. 1. Ɇɟɯɚɧɢɡɦ ɪɟɚɤɰɢɢ: R ɪɟɚɝɟɧɬɵ, TS ɩɟɪɟɯɨɞɧɨɟ ɫɨɫɬɨɹɧɢɟ, P ɩɪɨɞɭɤɬ ɪɟɚɤɰɢɢ ɇɚɦɢ ɛɵɥ ɩɪɨɜɟɞɟɧ ɪɚɫɱɟɬ ɜɧɭɬɪɟɧɧɟɣ ɤɨɨɪɞɢɧɚɬɵ ɪɟɚɤɰɢɢ (IRC), ɤɨɬɨɪɵɣ ɩɨɞɬɜɟɪɞɢɥ, ɱɬɨ ɧɚɣɞɟɧɧɨɟ ɩɟɪɟɯɨɞɧɨɟ ɫɨɫɬɨɹɧɢɟ TS ɥɟɠɢɬ ɧɚ ɩɭɬɢ ɞɚɧɧɨɣ ɪɟɚɤɰɢɢ (ɪɟɡɭɥɶɬɚɬɵ ɪɚɫɱɟɬɚ IRC ɩɨɤɚɡɚɧɵ ɧɚ ɪɢɫ. 2). ɗɧɟɪɝɢɹ ɚɤɬɢɜɚɰɢɢ ɞɚɧɧɨɣ ɪɟɚɤɰɢɢ ɢɡ ɨɫɧɨɜɧɨɝɨ ɫɨɫɬɨɹɧɢɹ ɪɟɚɝɟɧɬɨɜ ɞɨɜɨɥɶɧɨ ɜɟɥɢɤɚ ɢ ɫɨɫɬɚɜɥɹɟɬ ɜɟɥɢɱɢɧɭ ɩɨɪɹɞɤɚ 21.5 ɤɤɚɥ/ɦɨɥɶ. Ɋɢɫ. 2. Ɂɚɜɢɫɢɦɨɫɬɶ ɷɧɟɪɝɢɢ Ⱦɥɹ ɬɨɝɨ ɱɬɨɛɵ ɩɪɢ ɩɪɨɜɟɞɟɧɢɢ ɫɢɫɬɟɦɵ ɨɬ ɤɨɨɪɞɢɧɚɬɵ ɞɢɧɚɦɢɱɟɫɤɢɯ ɪɚɫɱɟɬɨɜ ɭɜɢɞɟɬɶ ɩɪɨɰɟɫɫ ɪɟɚɤɰɢɢ ɯɢɦɢɱɟɫɤɨɣ ɪɟɚɤɰɢɢ, ɩɪɨɢɫɯɨɞɹɳɢɣ ɫɩɨɧɬɚɧɧɨ, ɧɟɨɛɯɨɞɢɦɨ ɩɨɫɬɪɨɢɬɶ ɨɱɟɧɶ ɞɥɢɧɧɭɸ ɬɪɚɟɤɬɨɪɢɸ ɞɜɢɠɟɧɢɹ ɦɨɥɟɤɭɥɹɪɧɨɣ ɫɢɫɬɟɦɵ, ɜɤɥɸɱɚɸɳɟɣ ɨɝɪɨɦɧɨɟ ɤɨɥɢɱɟɫɬɜɨ ɦɨɥɟɤɭɥ. Ⱦɚɠɟ ɞɥɹ ɫɨɜɪɟɦɟɧɧɵɯ ɤɨɦɩɶɸɬɟɪɨɜ ɬɚɤɚɹ ɡɚɞɚɱɚ ɧɟ ɜɵɩɨɥɧɢɦɚ. ɉɨɷɬɨɦɭ ɞɥɹ ɩɨɥɭɱɟɧɢɹ ɩɪɟɞɫɬɚɜɥɟɧɢɹ ɨ ɞɢɧɚɦɢɱɟɫɤɢɯ ɩɪɨɰɟɫɫɚɯ ɜ ɪɟɚɤɰɢɢ ɨɩɬɢɦɚɥɶɧɵɦ ɹɜɥɹɟɬɫɹ ɧɚɛɥɸɞɟɧɢɟ ɞɢɧɚɦɢɤɢ ɦɨɥɟɤɭɥɹɪɧɨɣ ɫɢɫɬɟɦɵ, ɫɨɞɟɪɠɚɳɟɣ ɦɢɧɢɦɚɥɶɧɨɟ ɱɢɫɥɨ ɦɨɥɟɤɭɥ, ɢɫɩɨɥɶɡɭɹ ɜ ɤɚɱɟɫɬɜɟ ɧɚɱɚɥɶɧɨɣ ɫɬɪɭɤɬɭɪɭ ɩɟɪɟɯɨɞɧɨɝɨ ɫɨɫɬɨɹɧɢɹ. ɉɨɞɱɟɪɤɧɟɦ, ɱɬɨ ɩɪɟɞɩɨɱɬɢɬɟɥɶɧɟɟ ɛɵɥɨ ɛɵ ɩɪɨɜɨɞɢɬɶ ɪɚɫɱɟɬ ɞɢɧɚɦɢɤɢ ɫɢɫɬɟɦɵ, ɧɚɱɢɧɚɹ ɫɨ ɫɬɪɭɤɬɭɪɵ ɩɪɟɞɪɟɚɤɰɢɨɧɧɨɝɨ ɤɨɦɩɥɟɤɫɚ, ɧɨ ɨɬɧɨɫɢɬɟɥɶɧɨ ɛɨɥɶɲɚɹ ɷɧɟɪɝɢɹ ɚɤɬɢɜɚɰɢɢ ɧɟ ɩɨɡɜɨɥɹɟɬ ɧɚɞɟɹɬɶɫɹ ɧɚ ɨɛɪɚɡɨɜɚɧɢɟ ɩɪɨɞɭɤɬɚ ɜ ɩɪɨɰɟɫɫɟ ɪɚɫɱɟɬɚ. 682 Структура и динамика молекулярных систем, 2007 г., Выпуск №1 ɂɫɫɥɟɞɨɜɚɧɢɟ ɞɢɧɚɦɢɤɢ ɦɨɥɟɤɭɥɹɪɧɨɣ ɫɢɫɬɟɦɵ ɫɨɱɟɬɚɟɬ ɜ ɫɟɛɟ ɧɚ ɩɟɪɜɨɦ ɷɬɚɩɟ ɩɨɥɭɱɟɧɢɟ ɢɧɮɨɪɦɚɰɢɢ ɨ ɦɟɠɚɬɨɦɧɵɯ ɩɨɬɟɧɰɢɚɥɚɯ (ɤɨɬɨɪɵɟ ɦɨɝɭɬ ɛɵɬɶ ɩɨɥɭɱɟɧɵ ɦɟɬɨɞɚɦɢ ɤɜɚɧɬɨɜɨɣ ɯɢɦɢɢ) ɫ ɩɨɫɥɟɞɭɸɳɢɦɢ ɪɚɫɱɟɬɚɦɢ ɤɥɚɫɫɢɱɟɫɤɢɯ ɭɪɚɜɧɟɧɢɣ ɞɜɢɠɟɧɢɹ ɹɞɟɪ. ɉɪɢɦɟɧɟɧɢɟ ɦɟɬɨɞɚ ɩɪɹɦɨɣ ɦɨɥɟɤɭɥɹɪɧɨɣ ɞɢɧɚɦɢɤɢ, ɜ ɤɨɬɨɪɨɦ ɩɨɬɟɧɰɢɚɥɵ ɜɡɚɢɦɨɞɟɣɫɬɜɢɹ ɪɚɫɫɱɢɬɵɜɚɸɬɫɹ ɧɟɩɨɫɪɟɞɫɬɜɟɧɧɨ ɜ ɩɪɨɰɟɫɫɟ ɩɨɫɬɪɨɟɧɢɹ ɬɪɚɟɤɬɨɪɢɢ ɞɜɢɠɟɧɢɹ ɦɨɥɟɤɭɥɹɪɧɨɣ ɫɢɫɬɟɦɵ, ɞɚɟɬ ɜɨɡɦɨɠɧɨɫɬɶ ɦɨɞɟɥɢɪɨɜɚɬɶ ɞɢɧɚɦɢɱɟɫɤɨɟ ɩɨɜɟɞɟɧɢɟ ɫɢɫɬɟɦɵ, ɜ ɤɨɬɨɪɨɣ ɩɪɨɢɫɯɨɞɢɬ ɪɚɡɪɵɜ ɢɥɢ ɨɛɪɚɡɨɜɚɧɢɟ ɫɜɹɡɟɣ, ɢ, ɬɟɦ ɫɚɦɵɦ, ɩɨɥɭɱɚɬɶ ɢɧɮɨɪɦɚɰɢɸ ɨ ɜɪɟɦɟɧɧɵɯ ɞɢɚɩɚɡɨɧɚɯ ɩɪɨɬɟɤɚɧɢɹ ɯɢɦɢɱɟɫɤɢɯ ɪɟɚɤɰɢɣ. Ɋɚɫɱɟɬ ɞɢɧɚɦɢɤɢ ɢɡɭɱɚɟɦɨɣ ɫɢɫɬɟɦɵ ɩɪɨɜɨɞɢɥɫɹ ɧɚɦɢ ɦɟɬɨɞɨɦ ɩɪɹɦɨɣ ɦɨɥɟɤɭɥɹɪɧɨɣ ɞɢɧɚɦɢɤɢ ɜ ɩɚɪɚɦɟɬɪɢɡɚɰɢɢ PM3 ɜ ɪɟɠɢɦɟ ɩɨɞɞɟɪɠɚɧɢɹ ɩɨɫɬɨɹɧɧɨɣ ɬɟɦɩɟɪɚɬɭɪɵ ɛɟɡ ɩɪɨɜɟɞɟɧɢɹ ɩɨɥɧɨɝɨ ɫɬɚɬɢɫɬɢɱɟɫɤɨɝɨ ɚɧɚɥɢɡɚ. ɇɚɦɢ ɩɨɫɬɪɨɟɧɵ ɬɪɚɟɤɬɨɪɢɢ ɞɜɢɠɟɧɢɹ ɞɥɢɬɟɥɶɧɨɫɬɶɸ ɨɬ 2 ɞɨ 5 ɩɫ, ɜɪɟɦɟɧɧɨɣ ɲɚɝ ɛɵɥ ɜɵɛɪɚɧ 0.1 ɮɫ. ɉɪɨɜɟɞɟɧɢɟ ɞɢɧɚɦɢɱɟɫɤɢɯ ɪɚɫɱɟɬɨɜ ɢ ɢɯ ɜɢɡɭɚɥɢɡɚɰɢɹ ɞɚɥɢ ɜɨɡɦɨɠɧɨɫɬɶ ɧɚɛɥɸɞɚɬɶ ɞɜɢɠɟɧɢɟ ɦɨɥɟɤɭɥɹɪɧɨɣ ɫɢɫɬɟɦɵ ɢɡ ɫɬɪɭɤɬɭɪɵ ɩɟɪɟɯɨɞɧɨɝɨ ɫɨɫɬɨɹɧɢɹ ɤɚɤ ɜ ɫɬɨɪɨɧɭ ɪɟɚɝɟɧɬɨɜ, ɬɚɤ ɢ ɜ ɫɬɨɪɨɧɭ ɩɪɨɞɭɤɬɚ ɪɟɚɤɰɢɢ. Ɋɢɫ 3. ɂɡɦɟɧɟɧɢɟ ɝɟɨɦɟɬɪɢɢ ɢ ɩɨɬɟɧɰɢɚɥɶɧɨɣ ɷɧɟɪɝɢɢ ɫɢɫɬɟɦɵ ɜ ɩɪɨɰɟɫɫɟ ɪɟɚɤɰɢɢ ȼ ɩɪɨɰɟɫɫɟ ɪɟɚɤɰɢɢ ɩɪɨɢɫɯɨɞɢɬ ɩɨɫɬɟɩɟɧɧɨɟ ɫɛɥɢɠɟɧɢɟ ɦɨɥɟɤɭɥ, ɜ ɪɟɡɭɥɶɬɚɬɟ ɱɟɝɨ ɦɟɠɞɭ ɚɬɨɦɚɦɢ ɮɨɫɮɨɪɚ P(1) ɢ ɭɝɥɟɪɨɞɚ (C14) ɨɛɪɚɡɭɟɬɫɹ ɯɢɦɢɱɟɫɤɚɹ ɫɜɹɡɶ, ɞɥɢɧɚ ɤɨɬɨɪɨɣ ɜ ɩɪɨɞɭɤɬɟ ɪɟɚɤɰɢɢ P ɫɨɫɬɚɜɥɹɟɬ ɜɟɥɢɱɢɧɭ ɩɨɪɹɞɤɚ 1.8 Å. Ʉɚɤɢɯ-ɥɢɛɨ ɨɫɨɛɵɯ ɬɨɱɟɤ ɧɚ ɩɭɬɢ ɪɟɚɤɰɢɢ ɧɟ ɧɚɛɥɸɞɚɥɨɫɶ. Ⱦɚɧɧɵɣ ɩɭɬɶ ɪɟɚɤɰɢɢ ɫɨɝɥɚɫɭɟɬɫɹ ɫ ɪɟɡɭɥɶɬɚɬɚɦɢ ɤɜɚɧɬɨɜɨɯɢɦɢɱɟɫɤɢɯ ɪɚɫɱɟɬɨɜ, ɨɩɢɫɚɧɧɵɯ ɜɵɲɟ. ɂɡɭɱɟɧɢɟ ɞɟɬɚɥɟɣ ɢɡɦɟɧɟɧɢɹ ɩɨɬɟɧɰɢɚɥɶɧɨɣ ɷɧɟɪɝɢɢ ɩɨɤɚɡɚɥɨ, ɱɬɨ ɦɨɥɟɤɭɥɹɪɧɚɹ ɫɢɫɬɟɦɚ ɜ ɩɪɨɰɟɫɫɟ ɪɟɚɤɰɢɢ ɩɪɟɨɞɨɥɟɜɚɟɬ ɩɨɬɟɧɰɢɚɥɶɧɵɣ Раздел 3 683 ɛɚɪɶɟɪ, ɜɵɫɨɬɚ ɤɨɬɨɪɨɝɨ ɯɨɪɨɲɨ ɫɨɝɥɚɫɭɟɬɫɹ ɫ ɪɚɫɫɱɢɬɚɧɧɨɣ ɧɚɦɢ ɷɧɟɪɝɢɟɣ ɚɤɬɢɜɚɰɢɢ. ȼ ɪɚɦɤɚɯ ɢɫɩɨɥɶɡɨɜɚɧɧɨɣ ɪɚɫɱɟɬɧɨɣ ɫɯɟɦɵ ɦɟɬɨɞɚ ɩɪɹɦɨɣ ɦɨɥɟɤɭɥɹɪɧɨɣ ɞɢɧɚɦɢɤɢ, ɞɚɧɧɚɹ ɪɟɚɤɰɢɹ ɩɪɨɬɟɤɚɟɬ ɡɚ ɜɪɟɦɹ ɩɨɪɹɞɤɚ 120-250 ɮɫ ɜ ɡɚɜɢɫɢɦɨɫɬɢ ɨɬ ɧɚɱɚɥɶɧɵɯ ɭɫɥɨɜɢɣ. ɋɥɟɞɭɟɬ ɨɬɦɟɬɢɬɶ, ɱɬɨ ɪɟɡɭɥɶɬɚɬɵ, ɩɨɥɭɱɟɧɧɵɟ ɤɚɤ ɦɟɬɨɞɚɦɢ ɤɜɚɧɬɨɜɨɣ ɯɢɦɢɢ, ɬɚɤ ɢ ɦɟɬɨɞɚɦɢ ɩɪɹɦɨɣ ɦɨɥɟɤɭɥɹɪɧɨɣ ɞɢɧɚɦɢɤɢ, ɫɨɝɥɚɫɭɸɬɫɹ ɦɟɠɞɭ ɫɨɛɨɣ. Ʉɪɨɦɟ ɬɨɝɨ, ɨɧɢ ɜɡɚɢɦɧɨ ɞɨɩɨɥɧɹɸɬ ɞɪɭɝ ɞɪɭɝɚ. ɂɫɩɨɥɶɡɨɜɚɧɧɵɟ ɧɚɦɢ ɦɟɬɨɞɢɤɢ ɦɨɝɭɬ ɛɵɬɶ ɩɪɢɦɟɧɟɧɵ ɞɥɹ ɢɫɫɥɟɞɨɜɚɧɢɹ ɫɬɪɭɤɬɭɪɧɵɯ ɢ ɞɢɧɚɦɢɱɟɫɤɢɯ ɯɚɪɚɤɬɟɪɢɫɬɢɤ ɛɨɥɟɟ ɫɥɨɠɧɵɯ ɦɨɥɟɤɭɥɹɪɧɵɯ ɫɢɫɬɟɦ, ɜ ɬɨɦ ɱɢɫɥɟ ɛɢɨɥɨɝɢɱɟɫɤɢɯ ɦɨɥɟɤɭɥ ɢ ɢɯ ɤɨɦɩɥɟɤɫɨɜ. Ɇɟɬɨɞ ɦɨɥɟɤɭɥɹɪɧɨɣ ɞɢɧɚɦɢɤɢ ɦɨɠɟɬ ɛɵɬɶ ɢɫɩɨɥɶɡɨɜɚɧ ɩɪɢ ɭɫɬɚɧɨɜɤɟ ɤɨɧɟɱɧɨɣ ɫɬɪɭɤɬɭɪɵ ɦɨɥɟɤɭɥ ɢ ɦɨɥɟɤɭɥɹɪɧɵɯ ɤɨɦɩɥɟɤɫɨɜ, ɨɩɪɟɞɟɥɟɧɧɵɯ ɦɟɬɨɞɨɦ əɆɊ ɢ ɪɟɧɬɝɟɧɨɫɬɪɭɤɬɭɪɧɨɝɨ ɚɧɚɥɢɡɚ, ɚ ɬɚɤɠɟ ɜ ɮɚɪɦɚɤɨɥɨɝɢɢ ɩɪɢ ɪɚɡɪɚɛɨɬɤɟ ɧɨɜɵɯ ɥɟɤɚɪɫɬɜɟɧɧɵɯ ɩɪɟɩɚɪɚɬɨɜ. Ⱥɜɬɨɪɵ ɛɥɚɝɨɞɚɪɹɬ ɘ.Ƚ. ɒɬɵɪɥɢɧɚ ɡɚ ɩɨɥɟɡɧɨɟ ɨɛɫɭɠɞɟɧɢɟ ɪɟɡɭɥɶɬɚɬɨɜ ɞɚɧɧɨɣ ɪɚɛɨɬɵ. Ʌɢɬɟɪɚɬɭɪɚ 1. A.H. Zewail. Femtochemistry// vols. 1 and 2, World Scientific, Singapore, 1994. 2. J. Manz, L. Woste (Eds.)// VCH, Weinheim, Germany, 1995. 3. Roza M. Aminova, Elena Ermakova// Chem. Phys. Lett. 359, 2002, P. 184-190. 4. Ⱥɥɟɤɫɟɟɜ Ɋ.Ⱥ., Ⱥɦɢɧɨɜɚ Ɋ.Ɇ., ɋɚɜɨɫɬɢɧɚ Ʌ.ɂ//ɋɛ. ɬɪɭɞɨɜ X ȼɫɟɪɨɫɫɢɣɫɤɨɣ ɤɨɧɮɟɪɟɧɰɢɢ ɋɬɪɭɤɬɭɪɚ ɢ ɞɢɧɚɦɢɤɚ ɦɨɥɟɤɭɥɹɪɧɵɯ ɫɢɫɬɟɦ, əɥɶɱɢɤ, Ɍ.3, 2002, ɋ.150-152. 5. ɒɬɵɪɥɢɧ ɘ.Ƚ., Ɍɵɪɵɲɤɢɧ ɇ.ɂ, ɂɫɯɚɤɨɜɚ Ƚ.Ƚ ɢ ɞɪ.//ɀ. ɨɛɳ. ɯɢɦɢɢ, Ɍ.65, ȼɵɩ.7. 1995, ɋ.1101-1104.