Dr. Alexander Antonov

Dr. Alexander Antonov

Group Leader
Regensburg University
Choice of computational protocol for carbon-lithium spin–spin coupling constants 1JCLi featured image

Choice of computational protocol for carbon-lithium spin–spin coupling constants 1JCLi

In this work, we tested various computational schemes for calculations of 1JCLi constants with a high accuracy. On the example of six organolithium reagents (phenyllithium monomer …

v.-v.-karpov
peri-Interactions in 1,8-bis(dimethylamino)naphthalene ortho-ketimine cations facilitate [1,5]-hydride shift: selective synthesis of 1,2,3,4-tetrahydrobenzo[h]quinazolines featured image

peri-Interactions in 1,8-bis(dimethylamino)naphthalene ortho-ketimine cations facilitate [1,5]-hydride shift: selective synthesis of 1,2,3,4-tetrahydrobenzo[h]quinazolines

Selective heterocyclization leading to 1,2,3,4-tetrahydrobenzo[h]quinazolines from ortho-ketimines of 1,8-bis(dimethylamino)naphthalene (DmanIms) under acid catalysis has been …

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Dr. Vladimir Mikshiev
Self-association of diphenylpnictoginic acids in solution and solid state: covalent vs. hydrogen bonding featured image

Self-association of diphenylpnictoginic acids in solution and solid state: covalent vs. hydrogen bonding

Triphenylpnictogens were oxidized to access diphenylpnictioginic acids Ph2XOOH (X = P, As, Sb, Bi). It was shown that oxidation with chloramine-T does not lead to the cleavage of a …

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Artyom Yakubenko
Lithiation of 2,4,5,7-tetrabromo-1,8-bis(dimethylamino)naphthalene:  peculiarities of directing groups' effects and the possibility of polymetallation featured image

Lithiation of 2,4,5,7-tetrabromo-1,8-bis(dimethylamino)naphthalene: peculiarities of directing groups' effects and the possibility of polymetallation

The bromine-lithium exchange sequence upon interaction of 2,4,5,7-tetrabromo-1,8-bis(dimethylamino)naphthalene with n-BuLi was studied. Experimental results were explained by means …

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Artyom Yakubenko
Solid-State and Solution-State Self-Association of Dimethylarsinic Acid: IR, NMR and Theoretical Study featured image

Solid-State and Solution-State Self-Association of Dimethylarsinic Acid: IR, NMR and Theoretical Study

The structure of dimethylarsinic acid (Me2AsOOH, DMA) in crystal and in solution in aprotic medium was studied by X-ray, spectroscopic (IR, NMR and Raman) and quantum chemical …

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Dr. Valeriia Mulloyarova

Sterically Facilitated Intramolecular Nucleophilic NMe2 Group Substitution in the Synthesis of Fused Isoxazoles: Theoretical Study

The influence of steric repulsion between the NMe2 group and a second ortho-(peri-)substituent in the series of 1-dimethylaminonaphthalene and N,N-dimethylanilene ortho-oximes on …

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Dr. Alexander Antonov

Symmetry/Asymmetry of the NHN Hydrogen Bond in Protonated 1,8-Bis(dimethylamino)naphthalene

Experimental and theoretical results are presented based on vibrational spectra and motional dynamics of 1,8-bis(dimethylamino)naphthalene (DMAN) and its protonated forms (DMANH+ …

p.-piekos
Aggregation behaviour of lithionaphthalenes in solution: experimental and theoretical study featured image

Aggregation behaviour of lithionaphthalenes in solution: experimental and theoretical study

The aggregation of a series of mono- and dilithionaphthalenes in THF solutions in the presence of tetramethylethylenediamine (TMEDA) and pentamethyldiethylenetriamine (PMDTA) was …

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Dr. Alexander Antonov
How strong is hydrogen bonding to the amide nitrogen? featured image

How strong is hydrogen bonding to the amide nitrogen?

The protonation of the carboxamide nitrogen atom is an essential part of in vivo and in vitro processes (cis-trans isomerization, amides hydrolysis etc). This phenomenon is well …

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Dr. Vladimir Mikshiev
Unusual behaviour of the spin–spin coupling constant 1JCH upon formation of CH⋯X hydrogen bond featured image

Unusual behaviour of the spin–spin coupling constant 1JCH upon formation of CH⋯X hydrogen bond

One-bond coupling constants 1JXY are usually used as a measure of the corresponding X⋯Y interatomic distances. However, the physical nature of this correlation is not well …

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Prof. Elena Tupikina