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Proton Affinities of Nitrogen Oxyradicals

Snježana P. Kazazić ; Ruđer Bošković Institute, Bijenička 54, HR-10002 Zagreb, Croatia
Leo Klasinc ; Ruđer Bošković Institute, Bijenička 54, HR-10002 Zagreb, Croatia
Sean P. McGlynn ; Chemistry Department, Louisiana State University, Baton Rouge, LA 70803, USA
William A. Pryor ; Chemistry Department, Louisiana State University, Baton Rouge, LA 70803, USA


Puni tekst: engleski pdf 87 Kb

str. 465-468

preuzimanja: 446

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Sažetak

The proton affinities (PA's) of nitric oxide (NO), nitrogen dioxide (NO2), nitric acid (HNO3) as well as those of the cis- and trans-hydrogenhyponitrite (HONNO) and cis- and trans-dioxodinitrate (ONNO–) radicals were calculated by semi-empirical quantum mechanical calculations (standard Gaussian-2 procedure). The PA calculated values of NO (518.8 kJ mol–1), NO2 (580.5 kJ mol–1) and HNO3 (746.0 kJ mol–1) agree with the experimental values. The PA values for the NO3, ONNO– and HONNO radicals were calculated and adjusted to 580, 1330 and 770 kJ mol–1, respectively.

Ključne riječi

atmospheric chemistry, nitrogen oxides, trioxonitrate radical, cis- and trans-hydroxooxodinitrate radical, dioxodinitrate(1-) radical, proton affinity (G2) calculations

Hrčak ID:

102744

URI

https://hrcak.srce.hr/102744

Posjeta: 737 *