Structure of Tris[2-(4-pyridyl)ethyl]phosphine, Tris[2-(2-pyridyl)ethyl]phosphine, and Their Chalcogenides in Solution: Dipole Moments, IR Spectroscopy, and DFT Study.

Anastasiia A Kuznetsova, Denis V Chachkov, Natalia A Belogorlova, Svetlana F Malysheva, Yana A Vereshchagina

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Article in Molecules (Basel, Switzerland), 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

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5 authors at 3 institutions in 1 country.

Anastasiia A KuznetsovaDepartment of Physical Chemistry, A.M. Butlerov Institute of Chemistry, Kazan Federal University, Kremlevskaya 18, 420008 Kazan, Russia.ORCID 0000-0002-6736-0698

Denis V ChachkovKazan Department of Joint Supercomputer Center of Russian Academy of Sciences-Branch of Federal Scientific Center "Scientific Research Institute for System Analysis of the RAS", Lobachevskogo 2/31, 420111 Kazan, Russia.ORCID 0000-0002-0073-3672

Natalia A BelogorlovaA.E. Favorsky Irkutsk Institute of Chemistry, Siberian Branch of the Russian Academy of Sciences, Favorskogo 1, 664033 Irkutsk, Russia.ORCID 0000-0002-4883-8289

Svetlana F MalyshevaA.E. Favorsky Irkutsk Institute of Chemistry, Siberian Branch of the Russian Academy of Sciences, Favorskogo 1, 664033 Irkutsk, Russia.ORCID 0000-0002-7210-9406

Yana A VereshchaginaDepartment of Physical Chemistry, A.M. Butlerov Institute of Chemistry, Kazan Federal University, Kremlevskaya 18, 420008 Kazan, Russia.ORCID 0000-0002-8259-8143

A.E. Favorsky Irkutsk Institute of Chemistry · RUKazan Federal University · RURussian Academy of Sciences · RU

Funding

Russian Foundation for Basic Research 20-03-00119

6 · The paper itself

Abstract

Tris(hetaryl)substituted phosphines and their chalcogenides are promising polydentate ligands for the design of metal complexes. An experimental and theoretical conformational analysis of tris[2-(4-pyridyl)ethyl]phosphine, tris[2-(2-pyridyl)ethyl]phosphine, and their chalcogenides was carried out by the methods of dipole moments, IR spectroscopy and DFT B3PW91/6-311++G(df,p) calculations. In solution, these compounds exist as an equilibrium of mainly non-eclipsed (synclinal or antiperiplanar) forms with a predominance of a symmetrical conformer having a

Indexed as

conformational analysisDFTdipole momentsIR spectroscopyphosphine chalcogenidespyridylethylphosphinestructure

Identifiers

PMID38202693

DOI10.3390/molecules29010110

PMCPMC10779502

OpenAlexW4390175386

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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.