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Kolekcje
Inne
The electron attraction effect on the structure and properties of hydrogen bonded systems. Phenol-pyridine complex as an example.
Autorzy
Rok wydania
2020
Czasopismo
Numer woluminu
744
Strony
137218/1-137218/3
DOI
10.1016/j.cplett.2020.137218
Kolekcja
Język
Angielski
Typ publikacji
Artykuł
Using DFT method, calculations of the structure and energy of adduct of electron and phenol-pyridine complex were made. It has been shown that the additional electron has been located mainly on the pyridine ring. The additional electron causes a change in the geometrical structure of the complex and in particular, in the transfer of the proton in the hydrogen bridge from phenol to pyridine.
Słowa kluczowe
hydrogen bonding, proton transfer, ionizing radiation
Adres publiczny
http://dx.doi.org/10.1016/j.cplett.2020.137218
Strona internetowa wydawcy
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