Pregled bibliografske jedinice broj: 145817
Ab Initio MO and DFT Study of syn-Sesquinorbornatrienyl Dication and its Isoelectronic Boron Analogue
Ab Initio MO and DFT Study of syn-Sesquinorbornatrienyl Dication and its Isoelectronic Boron Analogue // New Journal of Chemistry, 28 (2004), 7; 880-886 (međunarodna recenzija, članak, znanstveni)
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Naslov
Ab Initio MO and DFT Study of syn-Sesquinorbornatrienyl Dication and its Isoelectronic Boron Analogue
Autori
Antol, Ivana ; Glasovac, Zoran ; Eckert-Maksić, Mirjana
Izvornik
New Journal of Chemistry (1144-0546) 28
(2004), 7;
880-886
Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni
Sažetak
The structure of dication 3, derived by replacement of the CH2 bridges in syn-sesquinorbornatriene (5) by the +CH groups and its isoelectronic boron analogue 4 were investigated using ab initio MP2/6-31G* and density functional B3LYP/6-31G* methods. Three energy minima were found in both species, all of them exhibiting strong bishomoaromatic interaction of the electron deficient bridges with either central or peripheral double bond(s). The calculated 13C and 11B chemical shifts support this conclusion.
Izvorni jezik
Engleski
Znanstvena područja
Kemija
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
Uključenost u ostale bibliografske baze podataka::
- Chemical Abstracts
