A mass spectrometric and computational study of gaseous peroxynitric acid and (HOONO 2 )H + protomers 1 1Dedicated to the memory of Professor Robert R. Squires.
International Journal of Mass Spectrometry, ISSN: 1387-3806, Vol: 195, Page: 1-10
2000
- 11Citations
- 9Captures
Metric Options: Counts1 Year3 YearSelecting the 1-year or 3-year option will change the metrics count to percentiles, illustrating how an article or review compares to other articles or reviews within the selected time period in the same journal. Selecting the 1-year option compares the metrics against other articles/reviews that were also published in the same calendar year. Selecting the 3-year option compares the metrics against other articles/reviews that were also published in the same calendar year plus the two years prior.
Example: if you select the 1-year option for an article published in 2019 and a metric category shows 90%, that means that the article or review is performing better than 90% of the other articles/reviews published in that journal in 2019. If you select the 3-year option for the same article published in 2019 and the metric category shows 90%, that means that the article or review is performing better than 90% of the other articles/reviews published in that journal in 2019, 2018 and 2017.
Citation Benchmarking is provided by Scopus and SciVal and is different from the metrics context provided by PlumX Metrics.
Example: if you select the 1-year option for an article published in 2019 and a metric category shows 90%, that means that the article or review is performing better than 90% of the other articles/reviews published in that journal in 2019. If you select the 3-year option for the same article published in 2019 and the metric category shows 90%, that means that the article or review is performing better than 90% of the other articles/reviews published in that journal in 2019, 2018 and 2017.
Citation Benchmarking is provided by Scopus and SciVal and is different from the metrics context provided by PlumX Metrics.
Article Description
The positive ion chemistry of peroxynitric acid ( 1 ) was investigated in the gas phase by mass-analyzed ion kinetic, collisionally activated dissociation, and Fourier transform-ion cyclotron resonance mass spectrometric techniques and theoretical methods up to the B3LYP/6-311++g(3 df,2 pd ) and G2, i.e. QCISD(T)/6-311+g(3 df,2 pd ), levels. The ion–neutral complex HOOH–NO 2 + ( 1a ) is the only detectable protomer in CI experiments involving the protonation of 1 by H 3 O +, and can also be obtained from the reaction of NO 2 + with H 2 O 2. 1a behaves as a protonating and nitrating agent toward gaseous nucleophiles. The experimental proton affinity of 1 is estimated to be 176 ± 3 kcal mol −1, in excellent agreement with the 175 ± 2 kcal mol −1 G2 PA. The theoretical results show that 1a is more stable than the HOONO 2 H + ( 1b ) and the H 2 OONO 2 + ( 1c ) protomers by 13 and 16 kcal mol −1, respectively, at the B3LYP level of theory, and account for the exclusive formation of 1a in the CI experiments. The experimental and B3LYP theoretical binding energy of NO 2 + to H 2 O 2 amounts to 18 ± 2 kcal mol −1.
Bibliographic Details
http://www.sciencedirect.com/science/article/pii/S1387380699001359; http://dx.doi.org/10.1016/s1387-3806(99)00135-9; http://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=0034695378&origin=inward; https://linkinghub.elsevier.com/retrieve/pii/S1387380699001359; http://linkinghub.elsevier.com/retrieve/pii/S1387380699001359; http://api.elsevier.com/content/article/PII:S1387380699001359?httpAccept=text/xml; http://api.elsevier.com/content/article/PII:S1387380699001359?httpAccept=text/plain; http://dx.doi.org/10.1016/s1387-3806%2899%2900135-9; https://dx.doi.org/10.1016/s1387-3806%2899%2900135-9
Elsevier BV
Provide Feedback
Have ideas for a new metric? Would you like to see something else here?Let us know