A comparison is also made with the G3//B3LYP composite method, which consistently overestimates the IE values by 0.06-0.09 eV. Field, J.T. Charge reversal of cations to anions is most informative and yields structurally indicative fragmentations, which are much less pronounced with the other techniques. Characterization of Vanadyl and Nickel Porphyrins Enriched from Heavy Residues by Positive-Ion Electrospray Ionization FT-ICR Mass Spectrometry. Florence Charbonnier, Christian Rolando, Florence Saru, Philippe Hapiot, Jean Pinson. Dissociation of polycyclic aromatic hydrocarbons: molecular dynamics studies. Fragmentation of 2‐aroylbenzofuran derivatives by electrospray ionization tandem mass spectrometry. Satoshi Ninomiya, Lee Chuin Chen, Yuji Sakai, Hiroaki Suzuki, Kenzo Hiraoka. Analysis of High-Molecular-Weight Polycyclic Aromatic Hydrocarbons by Laser Desorption-Ionisation/Time-of-Flight Mass Spectrometry and Liquid Chromatography/Atmospheric Pressure Chemical Ionisation Mass Spectrometry. Unimolecular reaction energies for polycyclic aromatic hydrocarbon ions. Radical Mechanism in the Elimination of 2-Arylsulfinyl Esters. Stability of Odd‐ Versus Even‐Electron Gas‐Phase (Quasi)Molecular Ions Derived from Pyridine‐Substituted N‐Heterotriangulenes. Radical cations are common intermediates in reactions occurring in the mass spectrometer. An animated display of this ionization process will appear if you click on the ion source of the mass spectrometer … Ionization energies of some cyclic molecules. –C Bond Cleavages in the Dissociation of Tyrosine-Containing Peptide Radical Cations products were mapped out at the Gaussian-3 level and then the RRKM and microcanonical variational transition state theories were applied to compute rate consts. Florence Charbonnier, Jean-Pierre Nicolas, Luc Eveleigh, Philippe Hapiot, Jean Pinson, Christian Rolando. Formation of Covalently Bonded Polycyclic Aromatic Hydrocarbons in the Interstellar Medium. Andreas Kiontke, Susan Billig, Claudia Birkemeyer. By collecting all detector data, it ensures the highest signal-to-noise ratio, const. Cation-radicals were readily obtained by electron impact ionization of volatile organic molecules and their investigation was justified by the extensive use of gas-chromatography mass spectrometry … Extending the coordination chemistry of cobalt with the metalloligand [Pt2(μ-S)2(PPh3)4]: Synthesis of the first cobalt(III) derivatives. Jordy Bouwman, Bálint Sztáray, Jos Oomens, Patrick Hemberger, and Andras Bodi . fall mainly into (i) a low-energy group, (AE <16 eV) and (ii) a high-energy group (AE >18 eV). The collision energy dependence of the fragmentation of the 1-bromonaphthalene radical cation was studied using sustained off-resonance excitation (SORI) in a 7 T Fourier transform ICR mass spectrometer (FTMS). M. Ravi Kumar, S. Prabhakar, M. Kiran Kumar, T. Jagadeshwar Reddy, M. Vairamani. The crit. Lilla Molnárné Guricza, Wolfgang Schrader. P.M.M. Gamini Gunawardena from the OChemPal site (Utah Valley University) Back to top; Radical Anion; Radical Chain Reaction; Recommended articles. Sheng-Jun Yao, Hao-Yang Wang, Li Zhang, Jing Zhang, Yin-Long Guo. INTRODUCTION. http://pubs.acs.org/page/copyright/permissions.html. There is generally good agreement between the predicted and obsd. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Dale F. Schoener, Mark A. Olsen, Paul G. Cummings, Cecilia Basic. Electrospray ionization Fourier transform mass spectrometry of polycyclic aromatic hydrocarbons using silver(I)-mediated ionization. see also radical anion. http://pubs.acs.org/page/copyright/permissions.html, https://doi.org/10.1038/s41467-019-14092-3, https://doi.org/10.1140/epjd/e2020-10340-0, https://doi.org/10.1016/j.molap.2020.100071, https://doi.org/10.1016/j.cplett.2020.137250, https://doi.org/10.1016/j.cplett.2019.04.028, https://doi.org/10.1007/s00214-018-2287-z, https://doi.org/10.1016/j.cplett.2017.12.043, https://doi.org/10.1016/j.nimb.2017.05.006, https://doi.org/10.1016/j.molap.2017.02.001, https://doi.org/10.1016/j.ijms.2016.12.011, https://doi.org/10.1016/j.cplett.2016.11.052, https://doi.org/10.1103/PhysRevA.92.053425, https://doi.org/10.1016/j.pss.2015.05.010, https://doi.org/10.1088/1742-6596/635/3/032051, https://doi.org/10.1088/0953-4075/47/8/085202, https://doi.org/10.1088/0953-4075/46/24/245201, https://doi.org/10.1103/PhysRevA.88.052707. as a function of excitation energy. Thermodn. A Detailed Look at the Saturate Fractions of Different Crude Oils Using Direct Analysis by Ultrahigh Resolution Mass Spectrometry (UHRMS). Plasmon excitation and subsequent isomerization dynamics in naphthalene and azulene under fast proton interaction. Durable Gold-Coated Fused Silica Capillaries for Use in Electrospray Mass Spectrometry. Rapid Communications in Mass Spectrometry. CONCURRENT ION–MOLECULE REACTIONS LEADING TO THE SAME PRODUCTION. A. Simon, J. P. Champeaux, M. Rapacioli, P. Moretto Capelle, F. X. Gadéa, M. Sence. M Observation of gas-phase molecular dications formed from neutral organics in solution via qemical electron-transfer reactions by using electrospray Ionization Mass Spectrometry. Structure characterization of petroleum vacuum residues by in-beam EI Fourier transform ion cyclotron resonance mass spectrometry. The linear +CH2CN ion could only be made from ICH2CN, a situation similar to that of the isoelectronic C3,H3+ isomers. Malick Diedhiou, Jake Burner, Brandi J. Ionized naphthalene undergoes unimol. Siebald. Craig D. Smith, John P. Bartley, Steven E. Bottle, Aaron S. Micallef, Damien A. Reid. Electrospray mass spectrometry applied to inorganic and organometallic chemistry. In these expts., the isomerization to naphthalene was not obsd., implying a competition between isomerization and cooling on the ground-state potential energy surface. The results were modeled using RRKM/QET formalism. Tracy Donovan McCarley,, Michael W. Lufaso,, Larry S. Curtin, and. You have to login with your ACS ID befor you can login with your Mendeley account. A complete map of the ion chemistry of the naphthalene radical cation?