Communication: Vibrational spectroscopy of atmospherically relevant acid cluster anions: Bisulfate versus nitrate core structures

Abstract

Infrared multiple photon dissociation spectra for the smallest atmospherically relevant anions of sulfuric and nitric acid allow us to characterize structures and distinguish between clusters with a bisulfate or a nitrate core. We find that bisulfate is the main charge carrier for HSO4−·H2SO4·HNO3 but not for NO3−·H2SO4·HNO3. For the mixed dimer anion, we find evidence for the presence of two isomers: HSO4−·HNO3 and NO3−·H2SO4. Density functional calculations accompany the experimental results and provide support for these observations.

Document Details

Document Type
Pub Defense Publication
Publication Date
Jun 28, 2012
Source ID
10.1063/1.4732148

Entities

People

  • Christian Hock
  • Claudia Brieger
  • Daniel Neumark
  • Knut R Asmis
  • Nadja Heine
  • Tara I Yacovitch
  • Torsten Wende

Organizations

  • Air Force Office of Scientific Research
  • Lawrence Berkeley National Laboratory
  • Max Planck Society
  • University of California

Tags

Readers

  • Electrochemical Engineering/ Fuel Cell Technologies
  • Image Processing and Computer Vision.
  • Quantum Chemistry