Clustering of Uracil Molecules on Ice Nanoparticles

0471301 - ÚFCH JH 2018 RIV US eng J - Článek v odborném periodiku
Pysanenko, Andriy - Kočišek, Jaroslav - Nachtigallová, Dana - Poterya, Viktoriya - Fárník, Michal
Clustering of Uracil Molecules on Ice Nanoparticles.
Journal of Physical Chemistry A. Roč. 121, č. 5 (2017), s. 1069-1077. ISSN 1089-5639. E-ISSN 1520-5215
Grant CEP: GA ČR GA14-14082S
Institucionální podpora: RVO:61388955 ; RVO:61388963
Klíčová slova: infrared spectroscopy * ab-initio * proton transfer
Obor OECD: Physical chemistry
Impakt faktor: 2.836, rok: 2017

We generate a molecular beam of ice nano particles (H2O)(N), N approximate to 130-220, which picks up several individual gas phase uracil' (U) or 5-bromouracil (BrU) molecules. The mass spectra of the doped nanoparticles prove that the uracil and bromouracil molecules coagulate to clusters on the ice nanoparticles. Calculations of U and BrU monomers and dimers on the ice nanoparticles provide theoretical support for the cluster formation. The (U)(m) H+ and (BrU)(m)H+ intensity dependencies on m extracted from the mass spectra suggest a smaller tendency of BrU to coagulate compared to U, which is substantiated by a lower mobility of bromouracil on the ice surface. The hydrated U-m.(H2O) H-n(+) series are also reported and discussed. On the basis of comparison with the previous experiments, we suggest that the observed propensity for aggregation on ice nanoparticles is a more general trend for biomolecules forming strong hydrogen bonds. This, together with their mobility, leads to their coagulation on ice nanopartides which is an important aspect for astrochemistry.
Trvalý link: http://hdl.handle.net/11104/0268686