Publications

  1. A. DeCecco, A. Conrad, A. Floyd, A. Jasper, N. Hansen, P. Dagaut, N.-E. Moody, D. Popolan-Vaida, “Tracking the reaction networks of acetaldehyde oxide and glyoxal oxide Criegee intermediates in the ozone-assisted oxidation reaction of crotonaldehyde”, Submitted.
    A. DeCecco, A. Conrad, A. Floyd, A. Jasper, N. Hansen, P. Dagaut, N.-E. Moody, D. Popolan-Vaida, “Tracking the reaction networks of acetaldehyde oxide and glyoxal oxide Criegee intermediates in the ozone-assisted oxidation reaction of crotonaldehyde”, ChemRxiv (2024). DOI: 10.26434/chemrxiv-2024-ggzt4
  2. D. M. Popolan-Vaida, A. J. Eskola, B. Rotavera, J. F. Lockyear, Z. Wang, S. M. Sarathy, R. L. Caravan, J. Zador, L. Sheps, A. Lucassen, K. Moshammer, P. Dagaut, D. L. Osborn, N. Hansen, S. R. Leone, C. A. Taatjes, “Formation of Organic Acids and Carbonyl Compounds in n-Butane Oxidation via γ-Ketohydroperoxide Decomposition”, Angewandte Chemie 61 (2022). DOI: 10.1002/anie.202209168
  3. S. D. Chambreau, D. M. Popolan-Vaida, O. Kostko, J. K. Lee, Z. Zhou, T. A. Brown, P. Jones, K. Shao, J. Zhang, G. L. Vaghjiani, R. N. Zare, S. R. Leone, “Thermal and Catalytic Decomposition of 2-Hydroxyethylhydrazine and 2-Hydroxyethylhydrazinium Nitrate Ionic Liquid”, J. Phys. Chem. A 126, 373-394 (2022).DOI: 10.1021/acs.jpca.1c07408
  4. A. R. Conrad, N. Hanse, A. W. Jasper, N. K. Thomason, L. Hidaldo-Rodrigues, S. P. Treshock, D. M. Popolan-Vaida, “Identification of the acetaldehyde oxide Criegee intermediate reaction network in the ozone-assistedlow-temperature oxidation of trans-2-butene”, Phys. Chem. Chem. Phys. 23, 23554-23566 (2021).
    DOI: 10.1039/D1CP03126K
  5. A. C. Terracciano, S. Neupane, D. M. Popolan-Vaida, R. G. Blair, N. Hansen, G. L. Vaghjiani, S. S. Vasu, “Elucidating the differences in oxidation of high-performance α-and β-diisobutylene biofuels via Synchrotron photoionization mass spectrometry”, Sci. Rep. 10, 21776 (2020).
    DOI: 10.1038/s41598-020-76462-y
  6. Z. Wang, N. Hansen, A. W. Jasper, B. Chen, D. M. Popolan-Vaida, K. K. Yalamanchi, A. Najjar, P. Daguat,
    S. M. Sarathy, “Cool flame chemistry of diesel surrogate compounds: n-Decane, 2-methylnonane, 2, 7-dimethyloctane, and n-butylcyclohexane”, Comb. Flame 219, 384-392 (2020).
    DOI: 10.1016/j.combustflame.2020.06.003
  7. B. T. Young, M. A. K. Pathan, T. Jiang, D. Le, N. Marrow, T. Nguyen, C. E. Jordan, T. S. Rahman, D. M. Popolan-Vaida, M. E. Vaida, “Catalytic C2H2 synthesis via low temperature CO hydrogenation on defect-rich 2D-MoS2 and 2D-MoS2 decorated with Mo clusters”, J. Chem. Phys. 162, 074706 (2020).
    DOI: 10.1063/1.5129712
  8. Z. Wang, B. Chen, K. Moshammer, D. M. Popolan-Vaida, S. Sioud, V. S. Bhavani Shankar, D. Vuilleumier, T. Tao, L. Ruwe, E. Bräuer, N. Hansen, P. Dagaut, K. Kohse-Höinghaus, M. A. Raji, S. M. Sarathy, “n-Heptane cool flame chemistry: Unraveling intermediate species measured in a stirred reactor and motored engine. Combustion and Flame”, Comb.  Flame 187, 199-216 (2018).
    DOI: 10.1016/j.combustflame.2017.09.003
  9. Z. Wang, D. M. Popolan-Vaida, B. Chen, K. Moshammer, S. Mohamed, H. Wang, S. Sioud, M. A. Raji, K. Kohse-Höinghaus, N. Hansen, P. Dagaut, S. R. Leone, S. M.  Sarathy, “Unraveling the structure and chemical mechanisms of highly oxygenated intermediates in oxidation of organic compounds”, PNAS 114, 13102-13107 (2017).
    DOI: 10.1073/pnas.1707564114
  10. S. Chambreau, D. M. Popolan-Vaida, G. Vaghjiani, S. Leone, “Catalytic Decomposition of Hydroxylammonium Nitrate Ionic Liquid: Enhancement of NO Formation”, J. Phys. Chem. Lett. 8, 2126-2130 (2017).
    DOI: 10.1021/acs.jpclett.7b00672
  11. K.O. Johansson, T. Dillstrom, P. Elvati, M. F. Campbell, P. E. Schrader, D. M. Popolan-Vaida, N. Richards-Henderson, K. R. Wilson, A. Violi, H. A. Michelsen, “Radical–radical reactions, pyrene nucleation, and incipient soot formation in combustion”, Proc. Comb. Inst. 36, 799-806 (2016).
    DOI: 10.1016/j.proci.2016.07.130
  12. S. Chambreau, C. J. Koh, Christine, D. M. Popolan-Vaida, C. J. Gallegos, J. Hooper, D. Bedrov, G. Vaghjiani, S. Leone, “Flow-Tube Investigations of Hypergolic Reactions of a Dicyanamide Ionic Liquid Via Tunable Vacuum Ultraviolet Aerosol Mass Spectrometry”, J. Phys. Chem. A 120, 8011-8023 (2016).
    DOI: 10.1021/acs.jpca.6b06289
  13. K. Moshammer, A. W. Jasper, D. M. Popolan-Vaida, Z. Wang, S. Bhavani, S. Vijai, L. Ruwe, C. Taatjes, P. Dagaut, N. Hansen, “Quantification of the Keto-Hydroperoxide (HOOCH2OCHO) and Other Elusive Intermediates During Low-Temperature Oxidation of Dimethyl Ether”, J. Phys. Chem. A 120, 7890-7901 (2016).
    DOI: 10.1021/acs.jpca.6b06634
  14. Z. Wang, S. Mohamed, L. Zhang, K. Moshammer, D. M. Popolan-Vaida, S. Bhavani, S. Vijai, A. Lucassen, L. Ruwe, N. Hansen, P. Dagaut, S. M. Sarathy, “New insights into the low-temperature oxidation of 2-methylhexane,” Proc. Combust. Inst. 36, 373-382 (2016).
    DOI: 10.1016/j.proci.2016.06.085
  15. O. K. Johansson, T. Dillstrom, M. Monti, F. E. Gabaly,  M. F. Campbell, P. E. Schrader, D. M. Popolan-Vaida, N. Richards-Henderson,  K. R. Wilson, A. Violi, H. A. Michelsen, “Formation and emission of large furans and oxygenated hydrocarbons from flames,” Proc. Natl. Acad. Sci. 113, 8374-8379 (2016).
    DOI: 10.1073/pnas.1604772113
  16. O. K. Johansson, J. Y. W. Lai, S. Skeen, D. M. Popolan-Vaida, R. K. Wilson, N. Hansen, A. Violi, A. H. Michelsen, “Soot precursor formation and limitations of the stabilomer grid”, Proc. Combust. Inst. 35, 1819-1826 (2015).
    DOI: 10.1016/j.proci.2014.05.033
  17. Z. Wang, L. Zhang, K. Moshammer, D. M. Popolan-Vaida, S. Bhavani, S. Vijai, A. Lucassen, C. Hemken, C.  Taatjes, S. Leone, K. Kohse-Höinghaus, N. Hansen, P.  Dagaut, S. M. Sarathy, “Additional chain-branching pathways in the low-temperature oxidation of branched alkanes”, Comb.  Flame 164, 386-396 (2015).
    DOI: 10.1016/j.combustflame.2015.11.035
  18. D. M. Popolan-Vaida, C. Liu, T. Nah, K. R. Wilson, S. Leone, “Reaction of Chlorine Molecules with Unsaturated Submicron Organic Particles”, Z. Phys. Chem. 229, 1521-1540 (2015).
    DOI: 10.1515/zpch-2015-0662
  19. K. Moshammer, A. W. Jasper, D. M. Popolan-Vaida, A. Lucassen, P. Diévart, H. Selim, A. Eskola, C. Taatjes,  S. Leone, S. S. Mani, Y. Ju, P. Dagaut, K. Kohse-Höinghaus, N. Hansen, “Detection and Identification of the Keto-Hydroperoxide (HOOCH2OCHO) and Other Intermediates during Low-Temperature Oxidation of Dimethyl Ether”, J. Phys. Chem. A 119, 7361-7374 (2015).
    DOI: 10.1021/acs.jpca.5b00101
  20. D. M. Popolan-Vaida, K. R. Wilson, S. Leone, “Reaction of I Atoms with Sub-micron Squalane and Squalene Droplets: Mechanistic Insights into Heterogeneous Reactions”, J. Phys. Chem. Lett. 118, 10688-10698 (2014).
    DOI: 10.1021/jp5085247
  21. I. Fleischer, D. M. Popolan, M. Krstić, V. Bonačić-Koutecký, T. M. Bernhardt, “Composition dependent selectivity in the coadsorption of H20 and CO on pure and binary silver–gold clusters”, Chem. Phys. Lett. 565, 74–79 (2013).
    DOI: 10.1016/j.cplett.2013.02.013
  22. S. A. Skeen, H. A. Michelson, K. R. Wilson, D. M. Popolan-Vaida, A. Violi, N Hansen, “Near-threshold photoionization mass spectra of combustion-generated high-molecular-weight soot precursors”, J. Aerosol Sci. 58, 86-102 (2013).
    DOI: 10.1016/j.jaerosci.2012.12.008
  23. D. M. Popolan, T. M. Bernhardt, “Interaction of gold and silver cluster cations with CH3Br: Thermal and photoinduced reaction pathways”, Eur. Phys. J. D. 63, 251-254 (2013).
    DOI: 10.1140/epjd/e2010-10588-9
  24. D. M. Popolan, T. M Bernhardt, “CO oxidation by silver and gold cluster cations: Identification of different active oxygen species”, J. Chem. Phys. 134, 91-102 (2011).
    DOI: 10.1063/1.3563631
  25. D. M. Popolan, M. Nössler, R. Mitric, T. M. Bernhardt, V. Bonacić-Koutecký, “Tuning Cluster Reactivity by Charge State and Composition: Experimental and Theoretical Investigation of CO Binding Energies to AgnAum+/- (n+m=3)”, J. Phys. Chem. A 115, 951-959 (2011).
    DOI: 10.1021/jp106884p
  26.  D. M. Popolan, M. Nobler, R. Mitric, T. M. Bernhardt, V.  Bonacić-Koutecký, “Composition Dependent adsorption of multiple CO molecules on binary silver-gold cluster Agn Aum + (n+ m=5): theory and experiment”, Phys. Chem. Chem. Phys. 12, 7865-7873 (2010).
    DOI:10.1039/B924022E
  27. T. M. Bernhardt, J. Hagen, S. M. Lang, D. M. Popolan, L. D. Socaciu-Siebert, L. Wöste, “Binding Energies of O-2 and CO to Small Gold, Silver, and Binary Silver-Gold Cluster Anions from Temperature Dependent Reaction Kinetics Measurements”, J. Chem. Phys. A 113, 2724-2733 (2009).
    DOI: 10.1021/jp810055q
  28. D. M. Popolan, T. M. Bernhardt, “Formation and femtosecond photodissociation of Agn+ and Aun+ complexes with benzene and carbon monoxide”, Chem. Phys. Lett. 470, 44-48 (2009).
    DOI: 10.1016/j.cplett.2009.01.036
  29. S. M. Lang, D. M. Popolan, T. M. Bernhardt, “Chapter 2 Chemical reactivity and catalytic properties of size-selected gas-phase metal clusters”, The Chemical Physics of Solid Surfaces 12, 53-90 (2007).
    DOI: 10.1016/S1571-0785(07)12002-2
  30. J. Hagen, L. D. Socaciu-Siebert, J. Le Roux, D. M. Popolan, S. Vajda, T. M. Bernhardt, L. Wöste. “Charge transfer initiated nitroxyl chemistry on free silver clusters Ag2-5-: Size effects and magic complexes”, Int. J. Mass. Spectrom. 261, 152-158 (2007).
    DOI: 10.1016/j.ijms.2006.08.008
  31. T. M. Bernhardt, L. D. Socaciu, J. Hagen, D. M. Popolan, J. Le Roux, U. Heiz, L. Wöste, “Catalysis with Small Free Noble Metal Clusters”, Clusters and Nano Assemblies 36, 1-9 (2005).
    DOI: 10.1002/chin.200552269
  32. L. D. Socaciu-Siebert, J. Hagen, J. Le Roux, D. M. Popolan, M. Vaida, S. Vajda, T. M Bernhardt, L. Wöste,  “Ultrafast nuclear dynamics induced by photodetachment of Ag2– and Ag2O2– : Oxygen desorption from a molecular silver surface”, Phys. Chem. Chem. Phys. 7, 2706-2709 (2005).
    DOI: 10.1039/b506034f
  33. T. M. Bernhardt, J. Hagen, L. D. Socaciu, R. Mitric, A. Heidenreich, J. Le Roux, D. M. Popolan, M. Vaida, L. Wöste, V. Bonacić-Koutecký, J. Jortner, “Femtosecond Time‐Resolved Geometry Relaxation and Ultrafast Intramolecular Energy Redistribution in Ag2Au”, Chem. Phys. Chem. 6, 243-253 (2005).
    DOI: 10.1002/cphc.200400454
  34. J. Hagen, L. D Socaciu, J. Le Roux, D. Popolan, T. M. Bernhardt, L. Wöste, R. Mitric,  H. Noack, V. Bonacić-Koutecký, “Cooperative Effects in the Activation of Molecular Oxygen by Anionic Silver Clusters”, J. Am. Chem. Soc. 126, 3442-3443 (2004).
    DOI: 10.1021/ja038948r
  35. L. D. Socaciu, J. Hagen, J. Le Roux, D. Popolan, T. M. Bernhardt, L. Wöste, S.  Vajda, “Strongly cluster size dependent reaction behavior of CO with O2 on free silver cluster anions”, J. Chem. Phys. 120, 2078-2081 (2004).
    DOI: 10.1063/1.1644103