Search Results - "Aksamentova, Tamara N"

Apicophilicity versus Hydrogen Bonding. Intramolecular Coordination and Hydrogen Bonds in N‑[(Hydroxydimethylsilyl)methyl]- N,N ′‑propyleneurea and Its Hydrochloride. DFT and FT-IR Study and QTAIM and NBO Analysis by Chipanina, Nina N, Lazareva, Nataliya F, Aksamentova, Tamara N, Nikonov, Alexey Yu, Shainyan, Bagrat A

“…Conformers of N-[(hydroxydimethylsilyl)methyl]- N,N ′-propyleneurea (1) and their hydrochlorides (2) with HCl coordinated to different basic sites have been…”
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Effect of proton donors on the intramolecular coordination C=O→Si-F in (acyloxymethyl)trifluorosilanes. Ab initio, DFT and FTIR study, QTAIM analysis by Chipanina, Nina N., Lazareva, Nataliya F., Aksamentova, Tamara N., Doronina, Evgeniya P., Shainyan, Bagrat A.

“…The intramolecular С=O→Si coordination in H‐complexes of (acetoxymethyl)trifluorosilane and (benzoyloxymethyl)trifluorosilane with proton donors HCl, PhOH,…”
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Bifurcate Hydrogen Bonds. Interaction of Intramolecularly H-Bonded Systems with Lewis Bases by Sidorkin, Valery F, Doronina, Evgeniya P, Chipanina, Nina N, Aksamentova, Tamara N, Shainyan, Bagrat A

“…The structure and the hydrogen bonding in the systems formed by the intramolecularly H-bonded systems, namely, maltol (3-hydroxy-2-methyl-4-pyrone), 5,…”
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The synthesis and structure of bis(pyridine-2-carboxy)difluoro(λ6)- and bis(pyridine-2-carboxy)fluorophenyl(λ5)siliconium by Voronkov, Mikhail G., Grebneva, Ekaterina A., Albanov, Aleksandr I., Trofimova, Olga M., Aksamentova, Tamara N., Chipanina, Nina N., Soldatenko, Anastasiya S., Chernov, Nikolay F.

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Molecular structure, proton affinity and hydrogen bonds of (2-hydroxyethyl)amine-N-oxides: DFT, MP2 and FTIR study by Aksamentova, Tamara N., Chipanina, Nina N., Oznobikhina, Larisa P., Adamovich, Sergei N., Smirnov, Vladimir I.

“…Tris- 1, bis- 2, and mono- 3 (2-hydroxyethyl)amine-N-oxides isomers, their protonated forms, and H-complexes with acids have been studied in gas phase and DMSO…”
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Molecular structure of β-oxy-bis-acrylamides on the pathway of the dimers formation. DFT and FTIR study by Aksamentova, Tamara N., Chipanina, Nina N., Andreev, Mikhail V., Sterkhova, Irina V., Pavlov, Dmitry V., Medvedeva, Alevtina S.

“…Conformational isomers of β-oxy-bis-acrylamides O(CH=CHCONR1R2)2 and their dimers were calculated with DFT methods using NBO and QTAIM analysis. The low…”
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2-Alkoxy- and 2-alkylthio-2-alkenals in the reactions of electrophilic and nucleophilic addition. DFT study and NBO analysis by Keiko, Natalia A., Aksamentova, Tamara N., Chipanina, Nina N., Verochkina, Ekaterina A., Vchislo, Nadezhda V.

“…A DFT approach at B3LYP/6-311+G∗∗ and M06/6-311+G∗∗ levels of theory, and natural bond orbital (NBO) analysis were used to investigate the electron…”
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DFT study of the 1-aryl-1-fluoro-5-methylquasisilatrane stereoisomers. NBO and QTAIM analysis by Aksamentova, Tamara N., Chipanina, Nina N., Grebneva, Ekaterina A., Timofeeva, Elena N., Bolgova, Yuliya I., Trofimova, Olga M.

“…[Display omitted] •The geometry of the stereoisomers of Ar(F)Si(OCH2CH2)2NMe was studied by DFT method.•The strength of the N→ Si bond depends on the electron…”
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Effect of proton donors on the intramolecular coordination C=O→Si-F in (acyloxymethyl)trifluorosilanes. Ab initio, DFT and FTIR study, QTAIM analysis: EFFECT OF PROTON DONORS ON THE INTRAMOLECULAR COORDINATION C=O→SI-F by Chipanina, Nina N., Lazareva, Nataliya F., Aksamentova, Tamara N., Doronina, Evgeniya P., Shainyan, Bagrat A.

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Pyrrole-2-dithiocarboxylates: Synthesis of 2-(1-Alkylthio-2-cyanoethenyl)pyrroles by Sobenina, Lubov N., Mikhaleva, Albina I., Sergeeva, Maria P., Petrova, Olga V., Aksamentova, Tamara N., Kozyreva, Olga B., Toryashinova, Darya-S.D., Trofimov, Boris A.

“…2-(1-Alkylthio-2-cyanoethenyl)pyrroles were synthesized in good to high yields by reaction of pyrrole-2-dithiocarboxylates with active methylene nitriles in a…”
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