Dmitry GovorovSkolkovo Institute of Science and Technology | Skoltech · Center for Energy Science and Technology
Dmitry Govorov
Doctor of Philosophy
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12
Publications
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18
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Introduction
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September 2014 - July 2019
Publications
Publications (12)
In the temperature range of 388–506 K in saturated vapor over 1-ethyl-3-methylimidazolium trifluoromethanesulfonate (EMImTfO) ionic liquid along with the monomer neutral ionic pairs (NIP) C⁺A–, where C⁺ is EMIm⁺ (cation) and A– is TfO– (anion), the dimers (C⁺A–)2 were registered with a fraction of 0.5% for the first time. The corresponding associat...
Sublimation of 1,3,3,6′-tetramethyl-8′-formyl-spiro-indoline-2,2′-[2H] -chromene (SP-1) and 3,6′-dimethyl-8′-formyl-spiro- (4-oxo-3,4-dihydro-2H-1,3-benzoxazine)-2,2′-[2H] -chromene (SP-2) was studied by Knudsen effusion mass spectrometry in the temperature range 309–363 K and 331–384 K, respectively. It has been shown that, in the temperature rang...
Triplet arylnitrenes may provide direct access to aryl azo‐dimers, which have broad commercial applicability. Herein, the photolysis of p‐azidostilbene (1) in argon‐saturated methanol yielded stilbene azo‐dimer (2) through the dimerization of triplet p‐nitrenostilbene (31N). The formation of 31N was verified by electron paramagnetic resonance spect...
The development of advanced ionic-liquid-based applications requires accurate thermochemical data for both ionic liquids and their constituent ions. Herein, the formation enthalpies of alkylimidazolium cations ([CnMIm⁺], n = 2, 4, 6, 8, 10) and various anions (trifluoromethanesulfonate ([TfO⁻]), ethyl sulfate ([ES⁻]), dicyanamide ([DCA⁻]), and bis(...
Sunlight‐driven photochemical reactions are an important tool for sustainable organic synthesis. However, compared with ground states, for which the effects of structure on properties and reactivity are well established, the understanding of excited states is limited. In particular, an improved understanding of aromaticity and antiaromaticity in ex...
Irradiation of p-methoxyazidobutyrophenone (1) in methanol yielded 2-(4-methoxyphenyl)-1-pyrroline (2) and several other photoproducts. However, in the presence of tris(trimethylsilyl)silane (TTMSS), 2 is formed selectively. Transient absorption and ESR spectroscopy verify that the irradiation of 1 forms triplet alkylnitrene 31N through intramolecu...
The processes of the sublimation and thermal decomposition of the 1-ethyl-3-methylimidazolium hexafluorophosphate ionic liquid (EMImPF6) were studied by a complex approach including Knudsen effusion mass spectrometry, IR and NMR spectroscopy, and quantum chemical calculations. It was established that the vapor over the liquid phase primarily consis...
The processes of the sublimation and thermal decomposition of the 1‐ethyl‐3‐methylimidazolium hexafluorophosphate ionic liquid (EMImPF6) were studied by a complex approach including Knudsen effusion mass spectrometry, IR and NMR spectroscopy, and quantum chemical calculations. It was established that the vapor over liquid phase primarily consists o...
Excited-state intramolecular hydrogen transfer on the triplet surface of salicylideneaniline derivatives has received much less attention than the corresponding ultrafast process on the singlet surface. To enhance the understanding of this triplet reactivity, the photochemical properties of a series of salicylidene-α-hydroxy acid salts with differe...
Spiropyrans are heterocyclic organic compounds known for their photochromic properties which are of perspective use for technology. They can be potentially used as the elements of molecular machines, optical data recording, modulated light filters and numerous hybrid materials. The key characteristic of such compounds is an ability to enter a photo...
Questions
Questions (2)
Hello. I wonder how can the monocrystalline silicon be grown on a SiO2 substrate? Normally, polysilicon is supposed to grow on SiO2 substrates due to crystal lattice mismatch but apparently the process of growing monocrystalline silicon on an insulator is used in industry.
Hello. In a project I'm willing to try DFT-based force fields applied to molecular crystals. I don't have any problems with DFT and I understand the procedure of the force matching, but how is it done in practice? I was able to find only this software to do it:
Suppose, I have a slab of molecules. Do I generate the force field for just one individual molecule, an asymmetric unit? Do I need to do it for an entire slab? Either way, I'm not willing to use NWChem on a laptop and I hope the community knows about better scripts for doing the force matching.