Slawomir Artur Berski

Publications (2)5.89 Total impact

• Article: Spectroscopic and Computational Characterization of the HCO(...)H2O Complex.

  Qian Cao, Slawomir Artur Berski, Markku Rasanen, Zdzislaw Latajka, Leonid Khriachtchev
  [show abstract] [hide abstract]
  ABSTRACT: The complexes of HCO with water are prepared in a Kr matrix and characterized by infrared spectroscopy with the aid of ab initio calculations. The calculations at the UCCSD(T)/aug-cc-pVTZ level of theory predict three structures of the HCO...H2O complex. In the "linear" structure I, a hydrogen atom of water interacts with the oxygen atom of HCO. In structure II, the hydrogen atom of HCO interacts with the oxygen atom of water. The "cyclic" structure III has simultaneously the C-H...O and O-H…O bonds. In the experiment, the HCO...H2O complex is produced by photolysis of HCOOH/HY/Kr (Y = Br and Cl) matrices followed by thermal annealing at about 30 K, which promotes the H + CO...H2O → HCO...H2O reaction. The analysis of the spectroscopic data shows that the main product has structure III whereas the formation of structure II is less efficient. The experiments show no evidence of the weakest structure I. The experiments with deuterated formic acid (DCOOH) provide additional support of the proposed assignment.
  The Journal of Physical Chemistry A 04/2013; · 2.95 Impact Factor
• Source

  Available from: Masashi Tsuge

  Article: High kinetic stability of HXeBr upon interaction with carbon dioxide: HXeBr···CO2 complex in a xenon matrix and HXeBr in a carbon dioxide matrix.

  Masashi Tsuge, Slawomir Berski, Radoslaw Stachowski, Markku Räsänen, Zdzislaw Latajka, Leonid Khriachtchev
  [show abstract] [hide abstract]
  ABSTRACT: We investigate the conditions when noble-gas hydrides can be found in real environments and report on the preparation and identification of the HXeBr···CO(2) complex in a xenon matrix and HXeBr in a carbon dioxide matrix. The H-Xe stretching mode of the HXeBr···CO(2) complex in a xenon matrix is observed at 1557 cm(-1), showing a spectral shift of +53 cm(-1) from the HXeBr monomer. The calculations at the CCSD(T)/aug-cc-pVTZ-PP(Xe,Br) level of theory give two stable structures for the HXeBr···CO(2) complex with frequency shifts of +55 and +103 cm(-1), respectively. On the basis of the calculations, the experimentally observed band is assigned to the more stable structure with a "parallel" geometry. The HXeBr molecule was prepared in a carbon dioxide matrix and has the H-Xe stretching frequency of 1646 cm(-1), meaning a strong matrix shift and stabilization of the H-Xe bond. The deuterated species DXeBr in a carbon dioxide matrix absorbs at 1200 cm(-1). This is the first case where a noble-gas hydride is prepared in a molecular solid. The thermal stabilities of HXeBr and HXeBr···CO(2) complex in a xenon matrix and HXeBr in a carbon dioxide matrix were examined. We have found a high thermal stability of HXeBr in carbon dioxide ice (at least up to 100 K), i.e., under conditions that may occur in nature.
  The Journal of Physical Chemistry A 04/2012; 116(18):4510-7. · 2.95 Impact Factor