Pregled bibliografske jedinice broj: 448929
Design of new scaffolds for increased superbasicity of bisguanidine proton sponges
Design of new scaffolds for increased superbasicity of bisguanidine proton sponges // Bulletin of the Chemical Society of Japan, 83 (2010), 9; 1055-1057 doi:10.1246/bcsj.20100024 (međunarodna recenzija, članak, znanstveni)
CROSBI ID: 448929 Za ispravke kontaktirajte CROSBI podršku putem web obrasca
Naslov
Design of new scaffolds for increased superbasicity of bisguanidine proton sponges
Autori
Margetić, Davor ; Trošelj, Pavle ; Ishikawa, Tsutomu ; Kumamoto, Takuya
Izvornik
Bulletin of the Chemical Society of Japan (0009-2673) 83
(2010), 9;
1055-1057
Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni
Ključne riječi
superbases ; guanidines ; DFT calculations ; basicity
Sažetak
New policyclic molecular scaffolds for anchoring guanidines were designed and studied by computational methods (DFT). Amongst them, the attachment of guanidine fragments to the 7, 12-dihydropleiadene- 7, 12-diamine framework effectively increases superbasicity of novel bisguanidine proton sponges to the estimated absolute proton affinity of 281 kcal mol-1 at the B3LYP/6-31G* level.
Izvorni jezik
Engleski
Znanstvena područja
Kemija
POVEZANOST RADA
Projekti:
098-0982933-3218 - Host-guest međudjelovanja u policikličkim sustavima (Margetić, Davor, 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
