Pregled bibliografske jedinice broj: 711323
The utility of 1, 5, 7-triazabicyclo[4.4.0]dec-5-ene (TBD) as a hydrogen bond acceptor in the design of novel superbasic guanidines – A computational study
The utility of 1, 5, 7-triazabicyclo[4.4.0]dec-5-ene (TBD) as a hydrogen bond acceptor in the design of novel superbasic guanidines – A computational study // Croatica chemica acta, 87 (2014), 4; 423-430 doi:10.5562/cca2487 (međunarodna recenzija, članak, znanstveni)
CROSBI ID: 711323 Za ispravke kontaktirajte CROSBI podršku putem web obrasca
Naslov
The utility of 1, 5, 7-triazabicyclo[4.4.0]dec-5-ene (TBD) as a hydrogen bond acceptor in the design of novel superbasic guanidines – A computational study
Autori
Štrukil, Vjekoslav ; Antol, Ivana ; Glasovac, Zoran
Izvornik
Croatica chemica acta (0011-1643) 87
(2014), 4;
423-430
Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni
Ključne riječi
guanidine; TBD; organic superbases; DFT; intramolelcular hydrogen bond
Sažetak
New guanidine-derived superbases with TBD-functionalized alkyl side chains have been developed using a computational DFT approach. Exploiting the high hydrogen bond basicity of TBD allowed access to systems with strong charge-assisted intramolecular hydrogen bonds in the protonated state. The enhanced stability of such guanidines is mirrored in their gas-phase basicities, which cover the range from 1044−1168 kJ mol−1, depending on the number of alkyl side chains, the type of alkyl spacer and the hydrogen-bonding pattern.
Izvorni jezik
Engleski
Znanstvena područja
Kemija
POVEZANOST RADA
Projekti:
098-0982933-2920 - Organski i bioorganski procesi u osnovnom i elektronski pobuđenim stanjima (Maksić, Mirjana, MZOS ) ( CroRIS)
Ustanove:
Institut "Ruđer Bošković", Zagreb
