Pregled bibliografske jedinice broj: 190022
High acidity of polycyano azatriquinanes - theoretical prediction by the DFT calculations
High acidity of polycyano azatriquinanes - theoretical prediction by the DFT calculations // Tetrahedron letters, 46 (2005), 3711-3713 (međunarodna recenzija, članak, znanstveni)
CROSBI ID: 190022 Za ispravke kontaktirajte CROSBI podršku putem web obrasca
Naslov
High acidity of polycyano azatriquinanes - theoretical prediction by the DFT calculations
Autori
Vianello, Robert ; Maksić, Zvonimir B.
Izvornik
Tetrahedron letters (0040-4039) 46
(2005);
3711-3713
Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni
Ključne riječi
Acidity; Anionic resonance; Polarized continuum model; Superacids
Sažetak
It is shown by the B3LYP/6-311+G(2d, p)//B3LYP/31G(d) calculations that the hexacyano derivative of aza-acepentalene is an extremely powerful superacid both in the gas-phase and in DMSO as evidenced by the DHacid = 255.1 kcal mol-1 and pKa(DMSO) = -26.5. Its synthesis is strongly recommended, in particular since the related conjugate base hexachloro aza-acepentalenide anion was prepared recently.
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
