Pregled bibliografske jedinice broj: 314363
The Mills-Nixon effect in trindan and some related tris-annelated benzenes
The Mills-Nixon effect in trindan and some related tris-annelated benzenes // Journal of molecular structure. Theochem, 285 (1993), 2; 187-194 doi:10.1016/0166-1280(93)87034-B (međunarodna recenzija, članak, znanstveni)
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Naslov
The Mills-Nixon effect in trindan and some related tris-annelated benzenes
Autori
Eckert-Maksić, Mirjana ; Maksić, Zvonimir B. ; Hodošćek, M. ; Poljanec, K.
Izvornik
Journal of molecular structure. Theochem (0166-1280) 285
(1993), 2;
187-194
Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni
Ključne riječi
Mills-Nixon effect
Sažetak
Structural features of trindan and some related tris-annelated benzenes are examined by the SCF 3-21 G procedure. It turns out that the central fragment exhibits characteristic albeit rather weak Mills-Nixon (MN) type of distortion in all studied systems. This finding is in agreement with some available accurate X-ray data. In trindan, however. X-ray measurements are less precise thus yielding less conclusive evidence. Nevertheless, if upper and lower levels of the experimental errors are taken into account, the MN effect just might be operative in this molecule too. Both theoretical and experimental geometries are interpreted in terms of the rehybridization concept caused by fusion and redistribution of the π -density arising due to hyperconjugation with CH2 groups of annelated carbocycles. Both mechanisms act sinergistically in the same direction leading to MN deformations.
Izvorni jezik
Engleski
Znanstvena područja
Kemija
POVEZANOST RADA
Ustanove:
Institut "Ruđer Bošković", Zagreb
Citiraj ovu publikaciju:
Časopis indeksira:
- Web of Science Core Collection (WoSCC)
- Science Citation Index Expanded (SCI-EXP)
- SCI-EXP, SSCI i/ili A&HCI
- Scopus
