Naslov
Proton affinities of nitrogen oxyradicals

Autori
Kazazić, Snježana P. ; Klasinc, Leo ; McGlynn, Sean P. ; Pryor, William A.

Izvornik
Croatica Chemica Acta (0011-1643) 77 (2004), 3; 456-468

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

Ključne riječi
atmospheric chemistry; tropospheric ozone; nitrogen oxides; trioxonitrate radical; cis- and trans-hydroxooxodinitrate radical; dioxodinitrate(1-) radical; proton affinity (G2) calculations; protonated nitrogen oxyradicals

Sažetak
The proton affinities (PA's) of nitric oxide and nitrogen dioxide have been calculated and compared with experiment. Those of the nitrate, cis- and trans-hydrogenhyponitrite and cis- and trans-dioxodinitrate radical which are also important in the chemistry of tropospheric ozone have been calculated but, in the absence of direct experimental data, comparison had to be made with related anionic and protonated forms. All calculations were carried out by standard Gaussian-2 (G2) procedures.

Izvorni jezik
Engleski

Znanstvena područja
Kemija

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