Vibrational Spectra of Cobalt (II), Nickel(II), Copper(II), Zinc(II) Etioporphyrins-II, MN4C32H36

Sliznev, V. V.; Pogonin, Alexander E.; Ischenko, A. A.; Girichev, G. V.

doi:10.6060/mhc131058g

Cited by 11 publications

(6 citation statements)

References 37 publications

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“…[4,5] TiO EP II was prepared by our group and characterized for the first time. The vibrational spectra of a number of EP II metal complexes were published several years ago, [6] however, the assignment of vibration frequencies was limited to the high-frequency area. No analysis of vibrations of the porphyrin cycle atoms bonded to the transition element was carried out.…”

Section: Introductionmentioning

confidence: 99%

XPS and IR Spectroscopic Studies of Titanyl and Vanadyl Complexes with Etioporphyrin II

Агеева¹,

Golubev²,

Горшкова³

et al. 2019

MHC

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The study is devoted to search for organometallic complexes with considerable dipole moments suitable for the creation of new electret materials. The latter are formed by intercalation of organometallic molecules with a high dipole moment into a polymeric matrix. Titanyl and vanadyl complexes with etioporphyrin II were synthesized. The obtained compounds were identified with the use of electronic spectroscopy, NMR spectroscopy, mass spectrometry and liquid chromatography, and studied by vibrational spectroscopy and X-ray photoelectronic spectroscopy. Quantum chemical calculations for the optimization of the geometry of etioporphyrin II complexes with vanadyl and titanyl cations were performed. Their vibration spectra, dipole moments and distribution of charge and spin densities were calculated. Mulliken population analysis was carried out. It was shown that the "apix" bond between the metal in the vanadyl complex with etioporphyrin II is of more pronounced covalent nature. In contrast, in case of titanyl a structure with some redistribution of electron density onto the oxygen atom is implemented. This increases the polarity of the "apix" Ti-O bond and the dipole moment of the titanyl macrocomplex in general. The calculated dipole moment of the titanyl complex is higher (2.94 D) than that of the vanadyl complex (2.32 D).

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Section: Introductionmentioning

confidence: 99%

XPS and IR Spectroscopic Studies of Titanyl and Vanadyl Complexes with Etioporphyrin II

Агеева¹,

Golubev²,

Горшкова³

et al. 2019

MHC

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“…Indium(III) chloride 2,7,12,17-tetramethyl-3,8,13,18-tetraethylporphyrin (Chloroindium(III) complex of Etioporphyrin-I, InCl-EtioP-I) was obtained by complexation of etioporphyrin-I with indium(III) chloride, in the same way as reported in Refs. [6,43] Etioporphyrin-I (0.3 g, 0.627 mmol) was refluxed with InCl 3 (0.3 g, 1.36 mmol) in 30 mL DMF during 3 h. After cooling the solution was poured into water, and then NH 4 Cl was added and stirred thoroughly for better coagulation. The precipitate was filtered off, washed with water and dried.…”

Section: Experimental Synthesismentioning

confidence: 99%

“…Complexes of etioporphyrin with transition metals (Ni, Cu) and metal oxides (VO, TiO) can be found in nature as trace components of heavy oils and asphaltenes [1–3] . Their laboratory synthesis is well‐known to yield compounds with a strictly defined substitution pattern [4–6] . Because of their good stability against heating on the one hand, and poor solubility on the other hand, the most suitable method for obtaining thin solid films of etioporphyrins is thermal vacuum evaporation.…”

Section: Introductionmentioning

confidence: 99%

“…[1][2][3] Their laboratory synthesis is well-known to yield compounds with a strictly defined substitution pattern. [4][5][6] Because of their good stability against heating on the one hand, and poor solubility on the other hand, the most suitable method for obtaining thin solid films of etioporphyrins is thermal vacuum evaporation. Such films exhibit interesting electron transporting properties due to the specific arrangement of molecules in a vacuum-deposited layer.…”

Section: Introductionmentioning

confidence: 99%

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An Indium Synthetic Etioporphyrin for Organic Electronics: Aggregation and Photoconductivity in Thin Films

et al. 2023

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A new complex of indium(III)chloride with etioporphyrin-I was synthesized and characterized. As with naturally occurring extraligated etioporphyrins, the InCl-EtioPÀ I spectrum in solution has a very strong B-band and a more than an order of magnitude weaker Q-band, but this difference diminishes in solid films of InCl-EtioPÀ I obtained by thermal evaporation in vacuum. In a solid, molecules have a tight convex-convex arrangement in a 2D double layered structure with interplane distance of 3.066 Å. The conductivity of films can easily be activated by the action of temperature or light. In the cells with symmetrical lateral contacts the photocurrent exceeds the dark current by about three orders of magnitude, with the contribution of photons in the Q-band range being greater than expected from the experimental or calculated absorption spectrum. The Q-bands contribute significantly to the photovoltaic effect in the ITO/InCl-EtioPÀ I/Al sandwich cells. Such cells show an untypically strong signal in the photodiode regime, which yields the spectral detectivity of 10^12 Jones.

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“…In the literature, there is a clear lack of data on detailed assignment of the vibrational bands for BODIPYs, while many studies focused on the description of vibrations of various larger molecules, e.g. porphyrins [8,9] and phthalocyanines. [10,11] Among a few studies dedicated to BODIPYs vibrations, we should mention the work, [12] in which the vibrational frequencies experimentally extracted from two-dimensional electronic spectra (2DES) were compared to the DFT calculated Raman spectra.…”

Section: Introductionmentioning

confidence: 99%

Assignment of the Vibrations of Unsubstituted BODIPY and Aza-BODIPY

Pogonin¹,

Postnikova²,

Shagurin³

et al. 2021

MHC

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According to quantum chemical calculations generic BODIPY and aza-BODIPY both have planar structure. Assignment of vibrational modes of BODIPY and aza-BODIPY was carried out via potential energy distribution analysis among internal coordinates. Despite obvious similarity of the structure and normal modes of the molecules, there are perceptible differences in simulated IR spectra, which were noted. Analysis of the simulated spectra and the experimental data available in literature allowed us to conclude that most of the bands observed in the IR spectra correspond to separate vibrational transitions. The complicated composition of most of the vibrational modes should be noted. The obtained data will also be useful in studies of substituted BODIPY and aza-BODIPY derivatives since it provides solid foundation for systematic assignment of vibrational bands in these molecules.

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Vibrational Spectra of Cobalt (II), Nickel(II), Copper(II), Zinc(II) Etioporphyrins-II, MN4C32H36

Cited by 11 publications

References 37 publications

XPS and IR Spectroscopic Studies of Titanyl and Vanadyl Complexes with Etioporphyrin II

XPS and IR Spectroscopic Studies of Titanyl and Vanadyl Complexes with Etioporphyrin II

An Indium Synthetic Etioporphyrin for Organic Electronics: Aggregation and Photoconductivity in Thin Films

Assignment of the Vibrations of Unsubstituted BODIPY and Aza-BODIPY

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