Structure of alcohol cluster ions in the gas phase, according to spectrometry and ab initio calculations
- Авторлар: Krisilov A.1, Lantsuzskaya E.2, Levina A.1
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Мекемелер:
- ZAO Innovation Center BIRYUCH
- Voronezh State University
- Шығарылым: Том 91, № 1 (2017)
- Беттер: 111-115
- Бөлім: Structure of Matter and Quantum Chemistry
- URL: https://journals.rcsi.science/0036-0244/article/view/169186
- DOI: https://doi.org/10.1134/S0036024417010137
- ID: 169186
Дәйексөз келтіру
Аннотация
Reduced ion mobility and scattering cross sections are calculated from experimentally obtained spectra of the ion mobility of linear aliphatic alcohols with carbon atom numbers from 2 to 9. A linear increase in the scattering cross sections as the molecular weight grows is found. According to the results from experiments and quantum chemical calculations, alcohol cluster ions do not form a compact structure. Neither are dipole moments compensated for during dimerization, in contrast to the aldehydes and ketones described earlier. It was concluded from ab initio calculations that charge delocalization in monomeric and dimeric ions of alcohols increases the dipole moment many times over.
Авторлар туралы
A. Krisilov
ZAO Innovation Center BIRYUCH
Email: elena.vsu@mail.ru
Ресей, Alekseevka, Belgorod oblast, 309850
E. Lantsuzskaya
Voronezh State University
Хат алмасуға жауапты Автор.
Email: elena.vsu@mail.ru
Ресей, Voronezh, 394006
A. Levina
ZAO Innovation Center BIRYUCH
Email: elena.vsu@mail.ru
Ресей, Alekseevka, Belgorod oblast, 309850