Synthesis and Spectroscopic Studies of Rhenium Tetraarylporphyrin Complexes

Rumyantseva V. D.; Ageeva T. A.; Voropai D.; Golubev D. V.; A. M. Ionov; Mozhchil R. N.; Matis M. E.; Koifman O. I.; Kolobanov A. I.; Fomichev V. V.

doi:10.1134/S1070363223140335

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Synthesis and Spectroscopic Studies of Rhenium Tetraarylporphyrin Complexes

Russian Journal of General Chemistry. 2023. Vol. 93. No. 1. P. S293–S303.

Rumyantseva V. D., Ageeva T. A., Voropai D., Golubev D. V., A. M. Ionov, Mozhchil R. N., Matis M. E., Koifman O. I., Kolobanov A. I., Fomichev V. V.

Rhenium complexes of 5,10,15,20-tetraphenylporphine, 5,10,15,20-tetrakis(4-methoxyphenyl)porphyrin, 5,10,15,20-tetrakis(4-methoxycarbonylphenyl)porphyrin, and 2,3,7,8,12,13,17,18-octabromo-5,10,15,20-tetraphenylporphyrin were synthesized and characterized by mass spectrometry, electron and 1H NMR spectroscopy, and HPLC. The X-ray photoelectron spectra of the complexes showed that rhenium is present predominantly in the pentavalent state. The optimized geometries, dipole moments, and charge and spin density distributions of the synthesized complexes were obtained by quantum-chemical calculations, as well as Mulliken population analysis was performed.

Research target: Chemistry Physics

Keywords: X-ray photoelectron spectroscopy РФЭС porphyrins quantum-chemical calculations порфирины квантово-химические рассчеты

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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

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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 ...

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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

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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

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Added: October 20, 2026

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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

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Added: October 19, 2026

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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

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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

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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

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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

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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

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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

1D and 2D coordination polymers based on ring-reduced free-base and copper-containing meso-tetra(4-pyridyl)porphyrins and MIII(TMHD)3 units (M = Dy, Tb and Gd; TMHD: 2,2,6,6-tetramethyl-3,5-heptanedionate)

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Added: September 14, 2026

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Nazarov D., Maxim A. Faraonov, Nations S. et al., Inorganic Chemistry 2024 Vol. 63 No. 48 P. 22677–22687

A series of hybrids comprising two metal (Mn, Fe, and In) tetraphenylporphyrins axially substituted with anionic bidentate trans-thioindigo ligands (TI) were obtained. Substitution of the axial chloride anion by an oxygen atom of the dye forms short M–O bonds. Crystalline binuclear assemblies (TI•–)·{[MnIITPP]0·[MnIIITPP]+}·xC6H4Cl2 (x = 2 for 1 or 1 for 2) and (TI2–){[MIIITPP]+}2·xC6H4Cl2 (M ...

Added: September 14, 2026

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Nazarov D., Labella J., Alexey V. Kuzmin et al., CCS CHEMISTRY 2024 Vol. 6 No. 7 P. 1731–1738

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Added: September 14, 2026

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Added: September 14, 2026

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Uskov F., Korobkov S., Birin K. P. et al., Journal of Photochemistry and Photobiology A: Chemistry 2026 Vol. 474 Article 116936

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Added: May 27, 2026

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Added: November 19, 2025

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Mondal S., Habib M., Sarkar R. et al., The Journal of Physical Chemistry Letters 2024 Vol. 15 No. 17 P. 4737–4744

Porphyrin nanoring has been attracting immense attention due to its light harvesting capacity and potential applications in optical, catalysis, sensor, and electronic devices. We demonstrate by nonadiabatic quantum dynamics simulations that the photovoltaic efficiency can be enhanced by template engineering. Altering the hexadentate template (T6) with two tridentate templates (2T3) within the porphyrin ring (P6) ...

Added: November 18, 2025

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Махаева Г. Ф., Ковалева Н. В., Рудакова Е. В. et al., Molecules 2024 Vol. 29 No. 2 Article 321

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Added: September 14, 2025