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Valdas Sablinskas

Publications and source records attributed to Valdas Sablinskas.

3 recordsLinked to original sources

Polarization modulation-infrared reflection absorption spectroscopic mapping.

Polarization modulation-infrared reflection absorption spectroscopy (PM-IRRAS) has been coupled with a stepwise mapping of the sample in order to characterize the molecular orientation across the surface. An optical setup has been developed to facilitate the PM-IRRAS mapping. With PM-IRRAS mapping used in conjunction with a common FT-IR spectrometer, the achievable lateral resolution of approximately 45 mum is energy-limited rather than diffraction-limited. PM-IRRAS mapping was used to study the molecular orientation of octadecanephosphonic acid (OPA) molecules attached on a microstructured aluminum oxide/gold surface. The spectroscopic map reveals that OPA is preferably spotty attached on the aluminum oxide surface. The attached molecules form a highly ordered film. A lower degree of ordering was found for phosphonic acid adsorbed on gold mainly in a tridentate bonding mode. Results demonstrate that PM-IRRAS mapping has a considerable potential for revealing inhomogenities within ultrathin films attached on a surface.

Absorption↗

A high-resolution FT-IR study of the fundamental bands nu7, nu8, and nu18 of ethene secondary ozonide.

Ozonization reaction of ethene in neat film at 77 K was performed. Separation of ethene secondary ozonide from the other products of the reaction was performed by continuous pumping of the reactor. Only the products, which evaporated from the walls of the reactor at 185 K, were transferred to the gas cell. The high-resolution infrared absorption spectrum of gaseous ethene secondary ozonide (C(2)H(4)O(3)) in a static gas long-path absorption cell has been recorded in the 900-1100 cm(-1) spectral region at 185 K. The spectral resolution was 0.003 cm(-1). Analyses of the nu(7)(A) band at 1037.0 cm(-1), the nu(8)(A) band at 956.1 cm(-1), and the nu(18)(B) band at 1082.1 cm(-1) have been performed using the Watson Hamiltonian model (A, reduction; III(r), representation). A set of ground-state rotational and quartic centrifugal distortion constants have been obtained, and upper state spectroscopic constants have been determined for the bands investigated. A local resonance observed in nu(18) is explained as c-Coriolis interaction with nu(10) + nu(11).

Journal Article↗

On the stability of the hydrogen chloride complexes with ethylene and acetylene. A high resolution gas phase and ab initio study.

The temperature dependencies of the intensities of the HCl stretching bands of the hydrogen chloride complexes with acetylene and ethylene have been used to obtain estimates of the dissociation enthalpies of the two complexes. Quantum chemical calculations on the Hartree Fock and DFT/B3LYP levels of theory have been combined with experimental data to give estimates of the intensities of the HCl stretching vibration in the two complexes.

Acetylene↗