Peptide radicals and cation radicals in the gas phase

F Turecek, RR Julian - Chemical reviews, 2013 - ACS Publications
For about three decades, the chemistry of cation radicals derived from organic molecules
had received a major impetus from mass spectrometry. This was because cation radicals …

Isotopic labelling in mass spectrometry as a tool for studying reaction mechanisms of ion dissociations

JL Holmes, KJ Jobst, JK Terlouw - Journal of Labelled …, 2007 - Wiley Online Library
Perhaps the greatest influence that isotopic labelling experiments have had on organic
mass spectrometry is that reaction mechanisms originally borrowed from the chemistry of …

Infrared spectroscopy of [H 2 O–X n]+(n= 1–3, X= N 2, CO 2, CO, and N 2 O) radical cation clusters: competition between hydrogen bond and hemibond formation of …

M Kominato, A Fujii - Physical Chemistry Chemical Physics, 2023 - pubs.rsc.org
The water radical cation H2O+ is an important intermediate in radiation chemistry and
radiobiology, and its role in radical reactions has recently attracted much attention. However …

Infrared vibrational spectra as a structural probe of gaseous ions formed by caffeine and theophylline

RA Marta, R Wu, KR Eldridge, JK Martens… - Physical Chemistry …, 2010 - pubs.rsc.org
Ionic hydrogen bond (IHB) interactions, resulting from the association of ammonia and the
two protonated methylxanthine derivatives, caffeine and theophylline, have been …

Carboxyl-catalyzed prototropic rearrangements in histidine peptide radicals upon electron transfer: effects of peptide sequence and conformation

F Turecek, S Panja, JA Wyer, A Ehlerding… - Journal of the …, 2009 - ACS Publications
We report an unusual prototropic rearrangement in gas-phase radicals formed by collisional
electron transfer from cesium atoms to protonated peptides HAL, AHL, and ALH at 50 keV …

The covalently bound HNC dimer ion HNCCNH+ has a kinetically stable neutral counterpart

KJ Jobst, MR Hanifa, JK Terlouw - Chemical Physics Letters, 2008 - Elsevier
Neutralization-reionization mass spectrometry (NRMS) and computational chemistry (CBS-
QB3/APNO methods) have been used to show that HNCCNH (ethenediimine) and its isomer …

The acrylonitrile dimer ion: A study of its dissociation via self-catalysis, self-protonation and cyclization into the pyrimidine radical cation

HK Ervasti, KJ Jobst, PC Burgers, PJA Ruttink… - International Journal of …, 2007 - Elsevier
Large energy barriers prohibit the rearrangement of solitary acrylonitrile ions, CH2CHCN+,
into their more stable hydrogen-shift isomers CH2CCNH+ or CHCH–CNH+. This prompted …

The acid-catalyzed rearrangement CH3O→ CH2OH and its involvement in the dissociation of the methanol dimer radical cation: A Quid pro Quo reaction

PC Burgers, PJA Ruttink - International Journal of Mass Spectrometry, 2005 - Elsevier
The barrier for the radical isomerization CH3O→ CH2OH is calculated by CBS-QB3 to be
29.7 kcalmol− 1 and lies higher (by 5.7 kcalmol− 1) than the dissociation limit CH2O+ H …

The covalently bound dimer ion HCNCNH+ and its neutral counterpart

KJ Jobst, JK Terlouw - Chemical Physics Letters, 2010 - Elsevier
Model chemistry calculations (CBS-QB3 and CBS-APNO methods) and tandem mass
spectrometry based experiments indicate that dissociative ionization of 2-methoxy-s-triazine …

The covalently bound HCN dimer ions HCN− NCH+ and HCN− C (N) H+ are stable species in the gas-phase, but the neutral counterparts are not

KJ Jobst, MR Hanifa, PJA Ruttink, JK Terlouw - Chemical Physics Letters, 2009 - Elsevier
Tandem mass spectrometry based experiments and computational chemistry (CBS-
QB3/APNO methods) indicate that ionized s-tetrazine eliminates N2 to yield the elusive …