Molecular structure, thermodynamic and spectral characteristics of chloroboron(III) subphthalocyanine and its dodecafluorinated derivative DOI
Ivan Yu. Kurochkin, Alexander E. Pogonin, Alexey V. Eroshin

et al.

Journal of Porphyrins and Phthalocyanines, Journal Year: 2024, Volume and Issue: 28(09n10), P. 626 - 638

Published: July 19, 2024

A comprehensive study of the structural, spectral and energetic properties chloroboron(III) complexes subphthalocyanine (H[Formula: see text]SubPc, for first time) dodecafluorosubphthalocyanine (F[Formula: reinvestigation) was performed by mass-spectroscopy (MS), gas-phase electron diffraction (GED), IR spectroscopy quantum-chemical (QC) calculations. synchronous GED/MS method showed that at T = 630 K 540 K, thermally stable H[Formula: text]SubPc F[Formula: molecular forms are present in gas phase. The geometric structure free molecules has been determined, which N 3 -B-Cl fragment a distorted tetrahedron, phthalocyanine skeleton dome shape. QC calculations geometry agree well with GED results. similarities differences solid phases were discussed. It is shown, despite similarity most parameters, have significant electronic characteristics, determines their physicochemical properties. interpretation experimental spectra carried out. distribution potential energy normal vibrations over internal vibrational coordinates analyzed. sublimation enthalpies ([Formula: text]H[Formula: text](589 K) 135(5) kJ ⋅ mol[Formula: text] text](516 189(3) determined mass spectrometric Knudsen effusion method. obtained data important designing processes employed fabricating optoelectronic devices based on subphthalocyanines PVD. Experimental parameters frequencies can be used to calculate thermodynamic functions gaseous text]SubPc.

Language: Английский

The chemistry of heterocycles in the 21st century DOI
Valery N. Charushin, Egor V. Verbitskiy, О. Н. Чупахин

et al.

Russian Chemical Reviews, Journal Year: 2024, Volume and Issue: 93(7), P. RCR5125 - RCR5125

Published: July 1, 2024

The chemistry of heterocyclic compounds has traditionally been and remains a bright area chemical science in Russia. This is due to the fact that many heterocycles find widest application. These are key structural fragments most drugs, plant protection agents. Many natural also derivatives heterocycles. At present, more than half hundreds millions known collective review devoted achievements Russian chemists this field over last 15–20 years. presents leading heterocyclists representing both RAS institutes university science. It worth noting wide scope review, terms geography author teams, covering whole our large country, diversity research areas. Practically all major types represented review. special attention focused on practical applications design new drugs biologically active compounds, high-energy molecules, materials for organic electronics photovoltaics, ligands coordination chemistry, other rapidly developing advances would not be possible without development fundamental transformations chemistry.<br> Bibliography — 2237 references.

Language: Английский

Citations

37

Monomeric and Dimeric Boron (III) Subphthalocyanines Functionalized with 4‐Hydroxy‐Benzoic Acid as Potential Photosensitizers and Photocatalysts in Sulfoxidation DOI
Ivan A. Skvortsov,

Elizaveta O. Filatova,

Kirill P. Birin

et al.

ChemPlusChem, Journal Year: 2024, Volume and Issue: unknown

Published: June 29, 2024

Axial modification of boron (III) subphthalocyanine bromides with 4-hydroxy-benzoic acid successfully led to the formation macrocycles anchored 4-carboxyphenoxy group [RsPcPHBA] (R=

Language: Английский

Citations

2

Molecular structure, thermodynamic and spectral characteristics of chloroboron(III) subphthalocyanine and its dodecafluorinated derivative DOI
Ivan Yu. Kurochkin, Alexander E. Pogonin, Alexey V. Eroshin

et al.

Journal of Porphyrins and Phthalocyanines, Journal Year: 2024, Volume and Issue: 28(09n10), P. 626 - 638

Published: July 19, 2024

A comprehensive study of the structural, spectral and energetic properties chloroboron(III) complexes subphthalocyanine (H[Formula: see text]SubPc, for first time) dodecafluorosubphthalocyanine (F[Formula: reinvestigation) was performed by mass-spectroscopy (MS), gas-phase electron diffraction (GED), IR spectroscopy quantum-chemical (QC) calculations. synchronous GED/MS method showed that at T = 630 K 540 K, thermally stable H[Formula: text]SubPc F[Formula: molecular forms are present in gas phase. The geometric structure free molecules has been determined, which N 3 -B-Cl fragment a distorted tetrahedron, phthalocyanine skeleton dome shape. QC calculations geometry agree well with GED results. similarities differences solid phases were discussed. It is shown, despite similarity most parameters, have significant electronic characteristics, determines their physicochemical properties. interpretation experimental spectra carried out. distribution potential energy normal vibrations over internal vibrational coordinates analyzed. sublimation enthalpies ([Formula: text]H[Formula: text](589 K) 135(5) kJ ⋅ mol[Formula: text] text](516 189(3) determined mass spectrometric Knudsen effusion method. obtained data important designing processes employed fabricating optoelectronic devices based on subphthalocyanines PVD. Experimental parameters frequencies can be used to calculate thermodynamic functions gaseous text]SubPc.

Language: Английский

Citations

0