Zobrazeno 1 - 10
of 51
pro vyhledávání: '"Yuriy A. Zhabanov"'
Autor:
Alexander E. Pogonin, Ivan Yu. Kurochkin, Alexey V. Eroshin, Maksim N. Zavalishin, Yuriy A. Zhabanov
Publikováno v:
Physchem, Vol 4, Iss 2, Pp 131-145 (2024)
The geometrical re parameters of trans-azobenzene (E-AB) free molecule were refined by gas electron diffraction (GED) method using available experimental data obtained previously by S. Konaka and coworkers. Structural analysis was carried out by vari
Externí odkaz:
https://doaj.org/article/5c40d4364f584554804a17400f34caf4
Autor:
Maksim N. Zavalishin, Alexey N. Kiselev, Alexandra K. Isagulieva, Anna V. Shibaeva, Vladimir A. Kuzmin, Vladimir N. Morozov, Eugene A. Zevakin, Ulyana A. Petrova, Alina A. Knyazeva, Alexey V. Eroshin, Yuriy A. Zhabanov, George A. Gamov
Publikováno v:
International Journal of Molecular Sciences, Vol 25, Iss 6, p 3186 (2024)
This article discusses the design and analysis of a new chemical chemosensor for detecting mercury(II) ions. The chemosensor is a hydrazone made from 4-methylthiazole-5-carbaldehyde and fluorescein hydrazide. The structure of the chemosensor was conf
Externí odkaz:
https://doaj.org/article/01b7791ea14643179082fdae0693750a
Autor:
Andrey I. Koptyaev, Yuriy A. Zhabanov, Georgy L. Pakhomov, Piotr P. Pershukevich, Serguei M. Arabei, Pavel A. Stuzhin
Publikováno v:
International Journal of Molecular Sciences, Vol 24, Iss 20, p 15168 (2023)
The luminescent and photophysical properties of the etioporphyrin-I complex with indium(III) chloride, InCl-EtioP-I were experimentally studied at room and liquid nitrogen temperatures in pure and mixed toluene solutions. At 77 K, in a 1:2 mixture of
Externí odkaz:
https://doaj.org/article/95e223b85b6040bdb8dbfeb1512685a7
Publikováno v:
International Journal of Molecular Sciences, Vol 24, Iss 8, p 7070 (2023)
The geometry and electronic structures of iron(II) complexes with porphyrin (FeP) and tetrabenzoporphyrin (FeTBP) in ground and low-lying excited electronic states are determined by DFT (PBE0/def2-TZVP) calculations and the complete active space self
Externí odkaz:
https://doaj.org/article/a339f3a0181a4ee2ae94b18af96dba53
Publikováno v:
International Journal of Molecular Sciences, Vol 23, Iss 10, p 5379 (2022)
Electronic and geometric structures of metal-free, Al, Ga and In complexes with tetrapyrazinoporphyrazine (TPyzPA) and octachlorotetrapyrazinoporphyrazine (TPyzPACl8) were investigated by density functional theory (DFT) calculations and compared in o
Externí odkaz:
https://doaj.org/article/a7a3faad744d488a82d62ea2a8b33ed2
Publikováno v:
International Journal of Molecular Sciences, Vol 23, Iss 2, p 939 (2022)
The electronic and molecular structures of metal-free tetrabenzoporphyrin (H2TBP) and its complexes with zinc, cadmium, aluminum, gallium and indium were investigated by density functional theory (DFT) calculations with a def2-TZVP basis set. A geome
Externí odkaz:
https://doaj.org/article/3b3233ab53a9479e9edc14b2e4aefda3
Autor:
Alexander E. Pogonin, Arseniy A. Otlyotov, Yury Minenkov, Alexander S. Semeikin, Yuriy A. Zhabanov, Sergey A. Shlykov, Georgiy V. Girichev
Publikováno v:
International Journal of Molecular Sciences, Vol 23, Iss 1, p 320 (2021)
The structure of a free nickel (II) octamethylporphyrin (NiOMP) molecule was determined for the first time through a combined gas-phase electron diffraction (GED) and mass spectrometry (MS) experiment, as well as through quantum chemical (QC) calcula
Externí odkaz:
https://doaj.org/article/377970554cab42c0a11979be53a4549a
Autor:
Yuriy A. Zhabanov, Alexey V. Eroshin, Igor V. Ryzhov, Ilya A. Kuzmin, Daniil N. Finogenov, Pavel A. Stuzhin
Publikováno v:
Molecules, Vol 26, Iss 10, p 2945 (2021)
The Knudsen effusion method with mass spectrometric control of the vapor composition was used to study the possibility of a congruent transition to the gas phase and to estimate the enthalpy of sublimation of metal-free tetrakis(1,2,5-thiadiazolo)por
Externí odkaz:
https://doaj.org/article/4670c4d9b0b44d6097d40fc5da5b7184
Publikováno v:
Molecules, Vol 26, Iss 1, p 113 (2020)
Electronic and geometric structures of Y, La and Lu complexes with porphyrazine (Pz) and tetrakis(1,2,5-thiadiazole)porphyrazine (TTDPz) were investigated by density functional theory (DFT) calculations and compared. The nature of the bonds between m
Externí odkaz:
https://doaj.org/article/156299e661d94896a9409e4374ce4127
Autor:
Arseniy A. Otlyotov, Igor V. Ryzhov, Ilya A. Kuzmin, Yuriy A. Zhabanov, Maxim S. Mikhailov, Pavel A. Stuzhin
Publikováno v:
International Journal of Molecular Sciences, Vol 21, Iss 8, p 2923 (2020)
Electronic and geometric structures of Ca(II) and Zn(II) complexes with porphyrazine (Pz) and tetrakis(1,2,5-thiadiazole)porphyrazine (TTDPz) were investigated by density functional theory (DFT) calculations and compared. The perimeter of the coordin
Externí odkaz:
https://doaj.org/article/1276abe3f89f4f0884e1f595d243d164