Gas-Phase Structure of 3,7,9-tris(trifluoromethylsulfonyl)-3,7,9-triazabicyclo[3.3.1]nonane by GED and Theoretical Calculations

Autor: Bagrat A. Shainyan, Alexey V. Eroshin, Valeriya A. Mukhina, Sergey A. Shlykov

Publikováno v: Molecules, Vol 28, Iss 9, p 3933 (2023)

The molecular structure and conformational and rotational composition of 3,7,9-tris(trifluoromethylsulfonyl)-3,7,9-triazabicyclo[3.3.1]nonane 1 have been investigated by synchronous gas-phase electron diffraction/mass spectrometry GED/MS and theoreti

Externí odkaz: https://doaj.org/article/80aec79393bd4d30ba9c639c1e8ee947

Coordination Properties of Porphyrin Analogues Ionized Forms by Experiment and Quantum Chemistry: 5,10,15,20‐Tetraphenyl‐21‐thia‐ and 5,10,15,20‐Tetraphenyl‐21,23‐Dithiaporphyrins

Autor: Svetlana G. Pukhovskaya, Yulia B. Ivanova, Sergey A. Syrbu, Anna O. Plotnikova, Ilya A. Kuzmin, Oleg A. Pimenov, Sergey A. Shlykov

Publikováno v: ChemistrySelect. 7

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::514b732898177fc283e682d8c92c55de
https://doi.org/10.1002/slct.202202971

Molecular Structure of Nickel Octamethylporphyrin—Rare Experimental Evidence of a Ruffling Effect in Gas Phase

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; Volume 23; Issue 1; Pages: 320
International Journal of Molecular Sciences, Vol 23, Iss 320, p 320 (2022)
International Journal of Molecular Sciences

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://explore.openaire.eu/search/publication?articleId=doi_dedup___::498b3f8b06890f94ceb5520808ecc414

1-Dimethylamino-1-silacyclohexane: Synthesis, molecular structure and conformational behavior by gas-phase electron diffraction, Raman spectroscopy and detailed quantum chemical calculations

Autor: Sergey A. Shlykov, Sunna Ó. Wallevik, Georgiy V. Girichev, Liubov E. Kuzmina, Nina I. Giricheva, Ingvar Arnason

Publikováno v: Journal of Molecular Structure. 1176:275-282

1-(N,N-dimethylamino)-1-silacyclohexane 1 was synthesized. Contributions of the conformers of 1, Eq-trans: Eq-gauche: Ax-trans, were found to be 55(15):15(15):30(15) mol.% in gas phase at 288 K from gas electron diffraction. The enthalpy ΔH = 0.29(1

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::f6cffe1af40c19954486286f02451cfc
https://doi.org/10.1016/j.molstruc.2018.08.076

The hierarchy of

Autor: Elena F, Belogolova, Sergey A, Shlykov, Alexey V, Eroshin, Evgeniya P, Doronina, Valery F, Sidorkin

Publikováno v: Physical chemistry chemical physics : PCCP. 23(4)

In the series of silatranes XSi(OCH2CH2)3N, 1 (X = Me, 1a; H, 1b; F, 1c) with the known gas electron diffraction (GED) structures, the problematic geometry of 1-methylsilatrane 1a has been revised. In particular, the new value of the SiN distance (dS

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=pmid________::e87d9d70e4aca1eee2eac655b3fef5d7
https://pubmed.ncbi.nlm.nih.gov/33496285