Naslov
Gas-phase proton affinities of guanidines with heteroalkyl side chains

Autori
Glasovac, Zoran ; Štrukil, Vjekoslav ; Eckert- Maksić, Mirjana ; Schröder, Detlef ; Kaczorowska, Malgorzata ; Schwarz, Helmut

Izvornik
International journal of mass spectrometry (1387-3806) 270 (2008), 1-2; 39-46

Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni

Ključne riječi
Density functional theory ; guanidine ; kinetic method ; mass spectrometry ; proton affinity

Sažetak
The gas-phase proton affinities (PAs) of four novel guanidine derivatives, with three of them incorporating heteroalkyl groups capable of forming intramolecular hydrogen bonds, are determined by the extended kinetic method. In addition, the PAs of two other guanidines are evaluated using the simple variant of the kinetic method. The proton affinities of the investigated bases fall in the range of 251– 264 kcal mol− 1 and are thus 16– 29 kcal mol− 1 larger than the proton affinity of the parent compound guanidine. It is shown that the formation of intramolecular hydrogen bonds, where possible, significantly contributes to the basicity of the guanidine bases under study.

Izvorni jezik
Engleski

Znanstvena područja
Kemija

POVEZANOST RADA