Modern level for properties prediction of iodine-containing organic compounds: the halogen bonds formed by iodine
- Авторы: Bartashevich E.1, Grigoreva E.1, Yushina I.1, Bulatova L.1, Tsirelson V.2
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Учреждения:
- South Ural State University
- D. I. Mendeleev University of Chemical Technology
- Выпуск: Том 66, № 8 (2017)
- Страницы: 1345-1356
- Раздел: Reviews
- URL: https://journals.rcsi.science/1066-5285/article/view/241052
- DOI: https://doi.org/10.1007/s11172-017-1898-1
- ID: 241052
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Аннотация
The modern concepts on specific features of anisotropy of the electron density of valence shells of bound atoms and chemical bonds providing the successful description of the properties of halogen bonds formed by the iodine molecule in compounds with useful physicochemical properties are generalized in the review. The prognoses of basicity by the diiodine basicity scale for the nitrogen-containing compounds are illustrated. The regularities and peculiarities of shifting bands in Raman spectra of iodine-containing organic crystals are considered. The methodical and specific problems of modeling appeared when the electronic characteristics of the iodine compounds are estimated and briefly discussed.
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Об авторах
E. Bartashevich
South Ural State University
Автор, ответственный за переписку.
Email: bartashevichev@susu.ru
Россия, 76 prosp. Lenina, Chelyabinsk, 454080
E. Grigoreva
South Ural State University
Email: bartashevichev@susu.ru
Россия, 76 prosp. Lenina, Chelyabinsk, 454080
I. Yushina
South Ural State University
Email: bartashevichev@susu.ru
Россия, 76 prosp. Lenina, Chelyabinsk, 454080
L. Bulatova
South Ural State University
Email: bartashevichev@susu.ru
Россия, 76 prosp. Lenina, Chelyabinsk, 454080
V. Tsirelson
D. I. Mendeleev University of Chemical Technology
Email: bartashevichev@susu.ru
Россия, 9 Miusskaya pl., Moscow, 125047