Stereochemistry of Simple Molecules inside Nanotubes and Fullerenes: Unusual Behavior of Usual Systems
Over the past three decades, carbon nanotubes and fullerenes have become remarkable objects for starting the implementation of new models and technologies in different branches of science. To a great extent, this is defined by the unique electronic and spatial properties of nanocavities due to the r...
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| Format: | Article |
| Language: | English |
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MDPI AG
2020-05-01
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| Series: | Molecules |
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| Online Access: | https://www.mdpi.com/1420-3049/25/10/2437 |
| _version_ | 1797567206724206592 |
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| author | Valerij Kuznetsov |
| author_facet | Valerij Kuznetsov |
| author_sort | Valerij Kuznetsov |
| collection | DOAJ |
| description | Over the past three decades, carbon nanotubes and fullerenes have become remarkable objects for starting the implementation of new models and technologies in different branches of science. To a great extent, this is defined by the unique electronic and spatial properties of nanocavities due to the ramified π-electron systems. This provides an opportunity for the formation of endohedral complexes containing non-covalently bonded atoms or molecules inside fullerenes and nanotubes. The guest species are exposed to the force field of the nanocavity, which can be described as a combination of electronic and steric requirements. Its action significantly changes conformational properties of even relatively simple molecules, including ethane and its analogs, as well as compounds with C−O, C−S, B−B, B−O, B−N, N−N, Al−Al, Si−Si and Ge−Ge bonds. Besides that, the cavity of the host molecule dramatically alters the stereochemical characteristics of cyclic and heterocyclic systems, affects the energy of pyramidal nitrogen inversion in amines, changes the relative stability of cis and trans isomers and, in the case of chiral nanotubes, strongly influences the properties of <i>R</i>- and <i>S</i>-enantiomers. The present review aims at primary compilation of such unusual stereochemical effects and initial evaluation of the nature of the force field inside nanotubes and fullerenes. |
| first_indexed | 2024-03-10T19:38:22Z |
| format | Article |
| id | doaj.art-1db5c3e68cfb4829ac3bc45847c4ec76 |
| institution | Directory Open Access Journal |
| issn | 1420-3049 |
| language | English |
| last_indexed | 2024-03-10T19:38:22Z |
| publishDate | 2020-05-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Molecules |
| spelling | doaj.art-1db5c3e68cfb4829ac3bc45847c4ec762023-11-20T01:28:26ZengMDPI AGMolecules1420-30492020-05-012510243710.3390/molecules25102437Stereochemistry of Simple Molecules inside Nanotubes and Fullerenes: Unusual Behavior of Usual SystemsValerij Kuznetsov0Ufa State Aviation Technical University, K. Marksa, 12, Ufa 450008, RussiaOver the past three decades, carbon nanotubes and fullerenes have become remarkable objects for starting the implementation of new models and technologies in different branches of science. To a great extent, this is defined by the unique electronic and spatial properties of nanocavities due to the ramified π-electron systems. This provides an opportunity for the formation of endohedral complexes containing non-covalently bonded atoms or molecules inside fullerenes and nanotubes. The guest species are exposed to the force field of the nanocavity, which can be described as a combination of electronic and steric requirements. Its action significantly changes conformational properties of even relatively simple molecules, including ethane and its analogs, as well as compounds with C−O, C−S, B−B, B−O, B−N, N−N, Al−Al, Si−Si and Ge−Ge bonds. Besides that, the cavity of the host molecule dramatically alters the stereochemical characteristics of cyclic and heterocyclic systems, affects the energy of pyramidal nitrogen inversion in amines, changes the relative stability of cis and trans isomers and, in the case of chiral nanotubes, strongly influences the properties of <i>R</i>- and <i>S</i>-enantiomers. The present review aims at primary compilation of such unusual stereochemical effects and initial evaluation of the nature of the force field inside nanotubes and fullerenes.https://www.mdpi.com/1420-3049/25/10/2437nanotubefullereneendocomplexcomputer simulationbarrier of internal rotationenantiomer |
| spellingShingle | Valerij Kuznetsov Stereochemistry of Simple Molecules inside Nanotubes and Fullerenes: Unusual Behavior of Usual Systems Molecules nanotube fullerene endocomplex computer simulation barrier of internal rotation enantiomer |
| title | Stereochemistry of Simple Molecules inside Nanotubes and Fullerenes: Unusual Behavior of Usual Systems |
| title_full | Stereochemistry of Simple Molecules inside Nanotubes and Fullerenes: Unusual Behavior of Usual Systems |
| title_fullStr | Stereochemistry of Simple Molecules inside Nanotubes and Fullerenes: Unusual Behavior of Usual Systems |
| title_full_unstemmed | Stereochemistry of Simple Molecules inside Nanotubes and Fullerenes: Unusual Behavior of Usual Systems |
| title_short | Stereochemistry of Simple Molecules inside Nanotubes and Fullerenes: Unusual Behavior of Usual Systems |
| title_sort | stereochemistry of simple molecules inside nanotubes and fullerenes unusual behavior of usual systems |
| topic | nanotube fullerene endocomplex computer simulation barrier of internal rotation enantiomer |
| url | https://www.mdpi.com/1420-3049/25/10/2437 |
| work_keys_str_mv | AT valerijkuznetsov stereochemistryofsimplemoleculesinsidenanotubesandfullerenesunusualbehaviorofusualsystems |