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Photophysics of Fe(III) complexes with fluorosalicylic acid isomers in aqueous solutions
Chemical Physics Letters. 2016. Vol. 660. P. 209–213.
Pozdnyakov I., Melnikov A. A., Šípoš R., Chekalin S., Šima J.
Transient absorption spectroscopy is used to study photophysical processes of 1:1 Fe(III) complexes with all four fluorosalicylic acid isomers (Fe-FSAs) in aqueous solutions. Excited states of Fe-FSAs decay to the ground electronic state with two time constants. The faster process is interpreted as internal conversion to the vibrationally hot electronic ground state and the slower one - as a combination of vibrational cooling and solvation of the ground state. The results obtained for Fe-FSAs and other previously investigated Fe(III) salicylato compounds allow us to reveal the main cause of photochemical stability of the complexes upon charge transfer band excitation.
D.V. Khomitsky, Lavrukhina E. A., Krasavin D. P. et al., Physical Review B: Condensed Matter and Materials Physics 2026 Vol. 114 No. 22 Article 225414
We study coherent electric manipulation of magnetic field induced localized states at a double kink of a helical edge in a HgTe/CdHgTe quantum well. An in-plane magnetic field opens a gap in the one-dimensional (1D) edge spectrum, while changes in the edge orientation generate localized in-gap states at the kinks. We show that, for suitable ...
Added: October 23, 2026
Novikov A., Polyhedron 2026 Vol. 301 Article 118454
New dichloro-chlorobismuthate supramolecular hybrid, (Me3NH)2{[BiCl5](Cl2)}, has been prepared and characterized by X-ray diffractometry as well as Raman spectroscopy. The self-assembly of 2D dihalogen-halometalate architecture succeeds via Cl⋯Cl halogen bonds (3.066 and 3.543 Å). These features were assessed with DFT calculations and Interaction region indicator analysis. ...
Added: October 23, 2026
Budkov Y., Kalikin N., Journal of Chemical Physics 2026 Vol. 165 No. 16 Article 164108
We derive the local pressure tensor generated by the original Rosenfeld fundamental measure theory (FMT) for hard-sphere fluids from an arbitrary infinitesimal deformation. The variation of a finite-distance FMT kernel is written via the line integrals of the local deformation gradient along the straight segment connecting its end points. The resulting symmetric pressure tensor consists ...
Added: October 22, 2026
Nazarov D., Faraonov M., Gritsan N. P. et al., Dalton Transactions 2026 Vol. 55 P. 14394–14408
Two axial anionic Dy complexes with the open form of a photochromic spirooxazine and TBA + or Cp* 2 Co + cations were obtained. Both complexes are a single-ion magnets with a high U eff of 680–750 cm −1 and T b = 6 K. One of them is photoresponsive. ...
Added: October 21, 2026
Novikov A., Journal of Photochemistry and Photobiology A: Chemistry 2026 Vol. 485 No. 1 Article 117796
A series of new coumarin-azine fluorophores based on 1,2,4-triazinyl and pyridinyl substituted derivatives of 7-aminocoumarin was synthesized via a nucleophilic substitution of hydrogen (SNH) reaction followed by an inverse electron-demand Diels–Alder transformation. The primary photophysical properties of 3-triazinyl coumarins and their pyridine analogs was investigated in toluene and acetonitrile solutions. Thus, the emission of the fluorophores in ...
Added: October 20, 2026
Ивченко В. С., Иевлева В. А., Matienko D. et al., Журнал технической физики 2026 № 9 С. 1738–1749
Задача о возбуждении бегущих фонон-поляритонных волн на поверхности полярного кристалла падающей извне световой волной (с частотой, близкой к частоте решеточных колебаний) решена теоретически только для бесконечной открытой поверхности кристалла. В случаях, когда часть поверхности покрыта металлической маской, препятствующей проникновению возбуждающего излучения к атомам среды, и эта маска имеет произвольную форму, общепризнанного решения неоднородной задачи нет. ...
Added: October 20, 2026
Logvenkov S. A., Известия РАН. Механика жидкости и газа 2026 № 3 С. 59–75
The problem of the evolution of cell volume fraction in a spherical aggregate composed of cells,
extracellular matrix, and fluid is considered. The aggregate is surrounded by extracellular matrix. The
problem formulation employs a multiphase model of a biological continuum, previously developed by the
author, consisting of two actively interacting solid phases and a fluid. The propagation of ...
Added: October 20, 2026
Lavrukhina E. A., Krasavin D. P., Krishtopenko S. S. et al., Physical Review B: Condensed Matter and Materials Physics 2026 Vol. 114 No. 22 Article 225414
We study coherent electric manipulation of magnetic field induced localized states at a double kink of a helical edge in a HgTe/CdHgTe quantum well. An in-plane magnetic field opens a gap in the one-dimensional (1D) edge spectrum, while changes in the edge orientation generate localized in-gap states at the kinks. We show that, for suitable ...
Added: October 19, 2026
Смерчанский П. С., Koledov V. V., Kamantsev A. P. et al., Physics of Metals and Metallography 2026 Vol. 127 No. 6-7 P. 689–693
Heusler alloys of the Ni2MnX family, where X = Ga, In, Sn, …, which have been shown to exhibit
giant magnetocaloric effect (MCE) and magnetically controlled shape memory effect due to thermoelastic
magnetostructural phase transition (MSPT), continue to attract attention. However, these functional properties are fully manifested in strong magnetic fields of at least several T. Currently, ...
Added: October 19, 2026
Тукачев Н. В., Bataev V., Abramenkov A. et al., Computational and Theoretical Chemistry 2016 No. 1080 P. 23–32
Electronic state calculations, such as equilibrium geometry parameters, harmonic vibrational frequencies and potential barriers to conformational transitions (as well as conformer energy differences in excited states), using ab initio methods, such as MP2, CCSD(T), CASSCF, CASPT2 and MRCI, were carried out on the formamide molecule in the ground (S0) and the lowest excited singlet (S1) ...
Added: October 14, 2026
Тукачев Н. В., Bataev V. А., Godunov I. А., Journal of Quantitative Spectroscopy and Radiative Transfer 2016 Vol. 177 P. 291–300
For conformers of the N-methylformamide (HCONHCH3) molecule, calculations of equilibrium geometry parameters, harmonic vibration frequencies, energy differences and potential barriers to conformational transitions were performed in the ground (S0) and lowest excited singlet (S1) and triplet (T1) electronic states. In the S0 state, the molecule exists in trans and cis stable conformations (having Cs symmetry). ...
Added: October 14, 2026
Тукачев Н. В., Bataev V. А., Godunov I. А., Journal of Quantitative Spectroscopy and Radiative Transfer 2017 Vol. 192 P. 30–41
For acetamide molecule (CH3CONH2) in the ground (S0) and lowest excited singlet (S1) and triplet (T1) electronic states calculations of equilibrium geometry parameters, harmonic vibrational frequencies and barriers to conformational transitions (also conformer energy differences in excited states) using following ab initio methods: MP2, CCSD(T), CASSCF, CASPT2 and MRCI were performed. One-, two- and three-dimensional ...
Added: October 14, 2026
Тукачев Н. В., Bataev V. A., Godunov I. A., Computational and Theoretical Chemistry 2017 Vol. 1113 P. 82–93
Equilibrium geometry parameters, harmonic vibrational frequencies and barriers to conformational transitions and conformer energy differences for N-methylacetamide (CH3CONHCH3) molecule in S0, S1 and T1 electronic states were calculated in MP2 (S0) and CASPT2 (S1, T1) levels of theory. It is known that there are two planar (or effectively planar) conformers of N-methylacetamide in the ground ...
Added: October 14, 2026
Тукачев Н. В., Maslennikov D., Sosorev A. et al., The Journal of Physical Chemistry Letters 2019 Vol. 10 No. 12 P. 3232–3239
Conformational space of polyphenylenevinylene oligomers is systematically investigated computationally at energies relevant for room temperature dynamics in a solvent and in a solid state. Our calculations show that optimal oligomer structures are essentially planar. However, lack of a deep minimum at the planar geometry allows for large molecular deformations even at very low temperatures. At ...
Added: October 14, 2026
Тукачев Н. В., Akkuratov A., Kuznetsov I. et al., Synthetic Metals 2020 Vol. 259 Article 116231
Four new conjugated polymers based on benzodithiophene, thiophene and 2,1,3-benzothiadiazole or 5,6-difluoro-2,1,3-benzothiadiazole were synthesized and investigated as absorber materials for organic photovoltaics. The effect of (bi)thiophene π-spacers and fluorine substitution on the physicochemical and optoelectronic properties of the polymers was revealed and correlations were drawn with their electrical characteristics in organic solar cells. In particular, ...
Added: October 14, 2026
Migulin A. V., MIlyutin C V, Lichitsky B. V. et al., Organic and Biomolecular Chemistry 2025 Vol. 23 No. 17 P. 4172–4185
In the present communication, a comprehensive study of the photochemical behavior of terarylenes with a 2-aminothiazole bridge unit and an allomaltol substituent was performed. It was shown that for the considered substrates, two types of photoprocesses can be realized. By controlling the structure of the starting material, the photoprocess can be directed toward the 6π-electrocyclization ...
Added: September 10, 2025
Makhov I., Ivanov K., Moiseev E. et al., Nanomaterials 2023 Vol. 13 No. 5 Article 877
One-state and two-state lasing is investigated experimentally and through numerical simulation
as a function of temperature in microdisk lasers with Stranski–Krastanow InAs/InGaAs/GaAs
quantum dots. Near room temperature, the temperature-induced increment of the ground-state
threshold current density is relatively weak and can be described by a characteristic temperature
of about 150 K. At elevated temperatures, a faster (super-exponential) increase in ...
Added: April 25, 2023
Makhov I., Ivanov K., Moiseev E. et al., Photonics 2023 Vol. 10 No. 3 Article 235
The two-state lasing phenomenon, which manifests itself in simultaneous laser emission
through several optical transitions of quantum dots, is studied in microdisk diode lasers with
different cavity diameters. The active region represents a multiply stacked array of self-organized
InAs/InGaAs/GaAs quantum dots emitting in the wavelength range of 1.1–1.3 um. Two-state
lasing, which involves the ground-state and the first excited-state ...
Added: April 25, 2023
Denis G. Poydashev, Ablyasova O., Ryabov E., ACS Omega 2022 Vol. 7 No. 50 P. 46203–46212
Real-time dissociation dynamics induced in [Fe(CO)5]nXem mixed molecular clusters by femtosecond IR radiation in the 5 μm region was studied forthe first time by means of time-resolved methods based on resonant excitation of CO vibrations in the molecular core of the cluster and photoionization probing (λ = 400 nm) of its decay products. It was ...
Added: December 12, 2022
Makhov I., Бекман А. А., Кулагина М. М. et al., Письма в Журнал технической физики 2022 Т. 48 № 12 С. 40–43
В широком диапазоне инжекционных токов исследованы спектральные зависимости интенсивности электролюминесценции микродискового лазера диаметром 31 μm с активной областью на основе квантовых точек InAs/InGaAs, работающего в непрерывном режиме генерации. Впервые в инжекционном микродисковом лазере продемонстрирована генерация одновременно через основное и возбужденное состояния квантовых точек при высоких уровнях накачки. При слабых уровнях накачки лазерная генерация протекает через ...
Added: July 5, 2022
Telegina L., Strelkova T., Ezernitskaya M. et al., Journal of Organometallic Chemistry 2020 Vol. 926 Article 121465
A series of 3-cymantrenylalkylisothioureas (2) was synthesized. DFT calculations showed that
compounds 2 in solutions are dimers. The photolysis of 2 was studied by IR, UV-vis and NMR spectroscopic
methods. Irradiation of compounds 2 results in the formation of two type chelates, in which the manganese atom is
coordinated to the S (3) or N (4) atoms of ...
Added: March 6, 2021
Фельдман В. И., Рязанцев С. В., Каменева С. В., Russian Chemical Reviews 2021 Vol. 90 P. 1145–1165
Recent progress in observational astronomy and astrophysics has stimulated the intensive laboratory studies aimed at elucidation of the mechanisms of evolution of molecular matter in interstellar space and various space objects. One of the most intriguing and rapidly developing areas of these studies is the so-called "cold astrochemistry" devoted to the complex processes occurring in ...
Added: February 28, 2021
Glebov E., Bakulina O. D., Shushakov A. A. et al., Mendeleev Communications 2020 Vol. 30 No. 3 P. 322–324
The photophysical and photochemial properties of dipyrido[3,2-a:2′,3′-c]phenazine (dppz) in acetonitrile have been investigated by laser flash photolysis and ultrafast pump-probe spectroscopy. The excitation of dppz to the first singlet excited state was followed by vibrational cooling with solvent relaxation for ∼3 ps and then intersystem crossing for ∼50 ps. Spectral and kinetic characteristics of the triplet excited ...
Added: January 18, 2021
Glebov E., Pozdnyakov I., Semionova V. V. et al., Mendeleev Communications 2020 Vol. 30 No. 1 P. 61–63
Early processes in photochemistry of 2,3-bis(2,5-dimethylthiophen-3-yl)cyclopent-2-enone were explored using the ultrafast pump-probe spectroscopy. The photocyclization occurs from the antiparallel conformation of an open form on a time scale of 7 ps, while the parallel conformation exhibits an intersystem crossing within 130 ps. The mechanism and timescales were revealed as typical of other thiophene-containing diarylethenes. ...
Added: January 18, 2021