Pregled bibliografske jedinice broj: 319931
The Baeyer strain is strongly affected by the nucleus-electron attraction - a comment on the Letter of G. Hohlneicher and L. Packschies [Tetrahedron Lett. 2007, 48, 6429-6433]
The Baeyer strain is strongly affected by the nucleus-electron attraction - a comment on the Letter of G. Hohlneicher and L. Packschies [Tetrahedron Lett. 2007, 48, 6429-6433] // Tetrahedron letters, 49 (2008), 8; 1428-1431 doi:10.1016/j.tetlet.2007.12.036 (međunarodna recenzija, članak, znanstveni)
CROSBI ID: 319931 Za ispravke kontaktirajte CROSBI podršku putem web obrasca
Naslov
The Baeyer strain is strongly affected by the nucleus-electron attraction - a comment on the Letter of G. Hohlneicher and L. Packschies [Tetrahedron Lett. 2007, 48, 6429-6433]
Autori
Barić, Danijela ; Maksić, Zvonimir
Izvornik
Tetrahedron letters (0040-4039) 49
(2008), 8;
1428-1431
Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni
Ključne riječi
Baeyer strain
Sažetak
The origin of the angular strain is studied in deformed methane and cyclohexane selected as the model systems par excellence. It is shown that the electron correlation contribution to the angular strain is negligible. Analysis of the Hartree-Fock energies provides a convincing evidence that the angular strain is a consequence of the unfavourable nucleus-electron attraction occuring due to bond bending. This should take place in other angularly distorted molecules as a rule. However, other effects might be even more important sometimes. In these cases the V_ne term can serve as a useful diagnostic tool.
Izvorni jezik
Engleski
Znanstvena područja
Kemija
POVEZANOST RADA
Projekti:
098-0982933-2932 - Broenstedove i Lewisove kiseline i baze u kemiji i biokemiji (Vianello, Robert, MZOS ) ( CroRIS)
Ustanove:
Institut "Ruđer Bošković", Zagreb
Citiraj ovu publikaciju:
Časopis indeksira:
- Current Contents Connect (CCC)
- Web of Science Core Collection (WoSCC)
- Science Citation Index Expanded (SCI-EXP)
- SCI-EXP, SSCI i/ili A&HCI
- Scopus
