Publications by authors named "I V Rubtsov"

Molecular vibrations are generally responsible for chemical energy transport and dissipation in molecular systems. This transport is fast and efficient if energy is transferred by optical phonons in periodic oligomers, but its efficiency is limited by decoherence emerging due to anharmonic interactions with acoustic phonons. Using a general theoretical model, we show that in the most common case of the optical phonon band being narrower than the acoustic bands, decoherence takes place in two stages.

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In an effort to increase the speed and efficiency of ballistic energy transport via oligomeric chains, we performed measurements of the transport in compounds featuring long alkyl chains of up to 37 methylene units. Compounds of the N-(CH)-COOMe type (denoted as azME) were synthesized with = 5, 10, 15, 19, 28, 37 and studied using relaxation-assisted two-dimensional infrared spectroscopy. The speed of the ballistic transport, initiated by the N tag excitation, increased ca.

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Article Synopsis
  • * Using ultrafast 3-pulse laser spectroscopy, the researchers observed differences in ET rates when altering vibrational excitation of the alkyne bridge in a system involving dimethyl aniline as the donor and -isopropyl-1,8-napthalimide as the acceptor.
  • * Two distinct groups of torsion-angle conformers were identified, exhibiting mean ET times of 0.63 ps for the faster group and 4
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A novel spectroscopic approach for studying the flexibility and mobility in the hydrophobic interior of lipid bilayers at specific depths is proposed. A set of test compounds featuring an azido moiety and a cyano or carboxylic acid moiety, connected by an alkyl chain of different lengths, was synthesized. FTIR data and molecular dynamics calculations indicated that the test compounds in a bilayer are oriented so that the cyano or carboxylic acid moiety is located in the lipid head-group region, while the azido group stays inside the bilayer at the depth determined by its alkyl chain length.

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Article Synopsis
  • The study explores how hydrogen bonding affects the properties of imidazolium-based ionic liquids, despite the dominant influence of Coulomb forces.
  • It specifically examines the 1-ethyl-3-methylimidazolium cation and its C-2 position, which can form hydrogen bonds with molecular solvents like dimethyl sulfoxide.
  • The findings highlight that dimethyl sulfoxide can create strong hydrogen-bonded interactions with the cation, while acetone does not, emphasizing the significance of cation-solute interactions in ionic liquids.
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