PMID- 32250483
OWN - NLM
STAT- PubMed-not-MEDLINE
LR  - 20200729
IS  - 1521-3765 (Electronic)
IS  - 0947-6539 (Print)
IS  - 0947-6539 (Linking)
VI  - 26
IP  - 35
DP  - 2020 Jun 23
TI  - Chemistry of NO(x) and HNO(3) Molecules with Gas-Phase Hydrated O(.-) and OH(-) 
      Ions.
PG  - 7861-7868
LID - 10.1002/chem.202000322 [doi]
AB  - The gas-phase reactions of O(.) (-) (H(2) O)(n) and OH(-) (H(2) O)(n) , n=20-38, 
      with nitrogen-containing atmospherically relevant molecules, namely NO(x) and 
      HNO(3) , are studied by Fourier transform ion cyclotron resonance (FT-ICR) mass 
      spectrometry and theoretically with the use of DFT calculations. Hydrated O(.) 
      (-) anions oxidize NO(.) and NO(2) (.) to NO(2) (-) and NO(3) (-) through a 
      strongly exothermic reaction with enthalpy of -263+/-47 kJ mol(-1) and 
      -286+/-42 kJ mol(-1) , indicating a covalent bond formation. Comparison of the rate 
      coefficients with collision models shows that the reactions are kinetically slow 
      with 3.3 and 6.5 % collision efficiency. Reactions between hydrated OH(-) anions 
      and nitric oxides were not observed in the present experiment and are most likely 
      thermodynamically hindered. In contrast, both hydrated anions are reactive toward 
      HNO(3) through proton transfer from nitric acid, yielding hydrated NO(3) (-) . 
      Although HNO(3) is efficiently picked-up by the water clusters, forming (HNO(3) 
      )(0-2) (H(2) O)(m) NO(3) (-) clusters, the overall kinetics of nitrate formation 
      are slow and correspond to an efficiency below 10 %. Combination of the measured 
      reaction thermochemistry with literature values in thermochemical cycles yields 
      DeltaH(f) (O(-) (aq.))=48+/-42 kJ mol(-1) and DeltaH(f) (NO(2) (-) 
      (aq.))=-125+/-63 kJ mol(-1) .
CI  - (c) 2020 The Authors. Published by Wiley-VCH Verlag GmbH & Co. KGaA.
FAU - Lengyel, Jozef
AU  - Lengyel J
AUID- ORCID: 0000-0002-1971-2783
AD  - Lehrstuhl fur Physikalische Chemie, Technische Universitat Munchen, 
      Lichtenbergstrasse 4, 85748, Garching, Germany.
AD  - Institut fur Ionenphysik und Angewandte Physik, Universitat Innsbruck, 
      Technikerstrasse 25, 6020, Innsbruck, Austria.
FAU - Oncak, Milan
AU  - Oncak M
AUID- ORCID: 0000-0002-4801-3068
AD  - Institut fur Ionenphysik und Angewandte Physik, Universitat Innsbruck, 
      Technikerstrasse 25, 6020, Innsbruck, Austria.
FAU - Beyer, Martin K
AU  - Beyer MK
AUID- ORCID: 0000-0001-9373-9266
AD  - Institut fur Ionenphysik und Angewandte Physik, Universitat Innsbruck, 
      Technikerstrasse 25, 6020, Innsbruck, Austria.
LA  - eng
GR  - M1983-N34/Austrian Science Fund/
GR  - M2001/Austrian Science Fund/
GR  - Alexander von Humboldt-Stiftung/
PT  - Journal Article
DEP - 20200603
PL  - Germany
TA  - Chemistry
JT  - Chemistry (Weinheim an der Bergstrasse, Germany)
JID - 9513783
SB  - IM
PMC - PMC7384111
OTO - NOTNLM
OT  - atmospheric chemistry
OT  - heterogeneous reactions
OT  - hydration
OT  - nitric acid
OT  - nitric oxides
COIS- The authors declare no conflict of interest.
EDAT- 2020/04/07 06:00
MHDA- 2020/04/07 06:01
PMCR- 2020/07/27
CRDT- 2020/04/07 06:00
PHST- 2020/01/20 00:00 [received]
PHST- 2020/04/05 00:00 [revised]
PHST- 2020/04/07 06:00 [pubmed]
PHST- 2020/04/07 06:01 [medline]
PHST- 2020/04/07 06:00 [entrez]
PHST- 2020/07/27 00:00 [pmc-release]
AID - CHEM202000322 [pii]
AID - 10.1002/chem.202000322 [doi]
PST - ppublish
SO  - Chemistry. 2020 Jun 23;26(35):7861-7868. doi: 10.1002/chem.202000322. Epub 2020 
      Jun 3.