Pregled bibliografske jedinice broj: 269254
Prediction of New Organic Superacids by Computational Chemistry
Prediction of New Organic Superacids by Computational Chemistry // Marie Curie Workshop 2006 in Croatia and Serbia: Celebrating 150th Anniversary of the birth on Nikola Tesla / Videnović, Ivan (ur.).
Beograd: Academic mind, 2006. (predavanje, domaća recenzija, sažetak, znanstveni)
CROSBI ID: 269254 Za ispravke kontaktirajte CROSBI podršku putem web obrasca
Naslov
Prediction of New Organic Superacids by Computational Chemistry
Autori
Vianello, Robert
Vrsta, podvrsta i kategorija rada
Sažeci sa skupova, sažetak, znanstveni
Izvornik
Marie Curie Workshop 2006 in Croatia and Serbia: Celebrating 150th Anniversary of the birth on Nikola Tesla
/ Videnović, Ivan - Beograd : Academic mind, 2006
Skup
Marie Curie Workshop 2006 in Croatia and Serbia: Celebrating 150th Anniversary of the birth on Nikola Tesla
Mjesto i datum
Beograd, Srbija; Zagreb, Hrvatska, 07.10.2006. - 11.10.2006
Vrsta sudjelovanja
Predavanje
Vrsta recenzije
Domaća recenzija
Ključne riječi
superacidity; aromaticity; substituent effect
Sažetak
A superacid is any acid stronger than 100% sulfuric acid (H2SO4). There is an ongoing interest in chemistry for compounds exhibiting extreme acidity, since neutral acids are the most important catalysts in chemical transformations. Usually, the strongest the acid is the better catalyst it makes. Beside that, very stable anions produced after deprotonation of strong acids proved useful in isolation of chemically very important and very reactive cations. Taking all of this into account, a design of novel neutral organic superacids is essential from practical and scientific points of view. We developed a useful strategy in designing exceptionally strong neutral superacids. Such strategy has led to the theoretical prediction of a whole series of molecules possessing superacidic properties. As evidenced by their deprotonation enthalpies in the gas-phase (deltaHacid) or by pKa values in DMSO, they surpass the acidity of sulfuric acid by 30-50 orders of magnitude. Since the selected molecular skeletons are long-known in chemistry and the synthetic pathways of polycyanation are well-documented in the literature it is likely that some of the suggested molecules are prone to chemical synthesis. It is also expected that the conjugate base anions of these superacids possess some useful properties like low nucleophilicity, weak coordinating ability and high solubility in organic solvents, which should make them very useful in everyday chemical applications.
Izvorni jezik
Engleski
Znanstvena područja
Kemija
