scholarly journals Combining gas phase electron capture and IRMPD action spectroscopy to probe the electronic structure of a metastable reduced organometallic complex containing a non-innocent ligand

2015 ◽  
Vol 17 (39) ◽  
pp. 25689-25692 ◽  
Author(s):  
Madanakrishna Katari ◽  
Eleonore Payen de la Garanderie ◽  
Edith Nicol ◽  
Vincent Steinmetz ◽  
Guillaume van der Rest ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Ir Spectroscopy ◽  
Gas Phase ◽  
Electron Capture ◽  
Organometallic Complex ◽  
Action Spectroscopy ◽  
Phase Reduction ◽  
Incoming Electron

Gas-phase reduction of a Zn(ii) complex followed by IR spectroscopy shows that the incoming electron is localized on the metal rather than on the ligand.

scholarly journals Discrimination of patterns of N-acetylation in chitooligosaccharides by gas phase IR spectroscopy integrated to mass spectrometry

2017 ◽  
Vol 89 (9) ◽  
pp. 1349-1357 ◽  
Author(s):  
Jasper Wattjes ◽  
Baptiste Schindler ◽  
Stéphane Trombotto ◽  
Laurent David ◽  
Bruno M. Moerschbacher ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Ir Spectroscopy ◽  
Gas Phase ◽  
Dimensional Analysis ◽  
Unique Combination ◽  
Structural Detail ◽  
Chitosan Oligosaccharides ◽  
Infra Red ◽  
Rapid Discrimination ◽  
Gas Phase Spectroscopy

AbstractWe propose a novel, bi-dimensional analysis of partially N-acetylated chitosan oligosaccharides based on gas phase Infra-Red spectroscopy integrated to mass spectrometry (MS). By providing simultaneously MS and IR fingerprints, this approach combines the advantages of MS with the refined structural detail offered by gas phase spectroscopy and provides robust signatures for the rapid discrimination of the patterns of N-acetylation. Four mono-N-deacetylated and two doubly-N-deacetylated chitosan tetramer standards with well-defined patterns of acetylation were produced and analyzed by IR integrated to MS. We show that each sequence displays a unique combination of MS and IR fingerprints, thus offering a rapid diagnostic for the pattern of acetylation without the need for reducing end labeling.

The phenylsulfenium cation: Electronic structure and gas-phase reactivity

1999 ◽  
Vol 40 (33) ◽  
pp. 6073-6076 ◽  
Author(s):  
Olga Bortolini ◽  
Alessandra Guerrini ◽  
Vittorio Lucchini ◽  
Giorgio Modena ◽  
Lucia Pasquato
Keyword(s):  
Electronic Structure ◽  
Gas Phase

scholarly journals Diastereo-specific conformational properties of neutral, protonated and radical cation forms of (1R,2S)-cis- and (1R,2R)-trans-amino-indanol by gas phase spectroscopy

2015 ◽  
Vol 17 (39) ◽  
pp. 25809-25821 ◽  
Author(s):  
Aude Bouchet ◽  
Johanna Klyne ◽  
Giovanni Piani ◽  
Otto Dopfer ◽  
Anne Zehnacker
Keyword(s):  
Electronic Structure ◽  
Gas Phase ◽  
Radical Cation ◽  
Amino Alcohol ◽  
Uv Spectroscopy ◽  
Conformational Properties ◽  
Gas Phase Spectroscopy ◽  
Ir And Uv Spectroscopy

The effects of ionisation and protonation on the geometric and electronic structure of a prototypical aromatic amino-alcohol with two chiral centres are revealed by IR and UV spectroscopy.

scholarly journals Electronic Spectroscopy of Isolated DNA Polyanions

2018 ◽  
Author(s):  
Steven Daly ◽  
Massimiliano Porrini ◽  
Frédéric Rosu ◽  
Valerie Gabelica
Keyword(s):  
Gas Phase ◽  
Absorption Spectra ◽  
Ion Mobility ◽  
Photoelectron Spectroscopy ◽  
Binding Energies ◽  
Action Spectroscopy ◽  
Action Spectra ◽  
Vis Spectroscopy ◽  
Electron Binding Energies ◽  
Electron Binding

In solution, UV-vis spectroscopy is often used to investigate structural changes in biomolecules (i.e., nucleic acids), owing to changes in the environment of their chromophores (i.e., the nucleobases). Here we address whether action spectroscopy could achieve the same for gas-phase ions, while taking the advantage of additional mass spectrometry and ion mobility separation of complex mixtures. We therefore systematically studied the action spectroscopy of homo-base 6-mer DNA strands (dG6, dA6, dC6, dT6), and discuss the results in light of gas-phase structures validated by ion mobility spectrometry and infrared ion spectroscopy, and in light of electron binding energies measured by photoelectron spectroscopy, and calculated electronic photo-absorption spectra. When UV photons interact with oligonucleotide polyanions, two main actions may take place: (1) fragmentation and (2) electron detachment. The action spectra reconstructed from fragmentation follow the absorption spectra well, and result from multiple cycles of absorption and internal conversion. The action spectra reconstructed from the electron photodetachment (EPD) efficiency reveal interesting phenomena: EPD depends on the charge state in a manner depending on electron binding energies, and is particularly efficient for purines but not pyrimidines. EPD thus reflects not only absorption, but also particular relaxation pathways of the electronic excited states. As these pathways lead to photo-oxidation, their investigation on model gas-phase systems may prove useful to elucidate mechanisms of photo-oxidative damages, which are linked to mutations and cancers.

scholarly journals Unravelling the electronic structure and dynamics of an isolated molecular rotary motor in the gas-phase

2017 ◽  
Vol 8 (9) ◽  
pp. 6141-6148 ◽  
Author(s):  
Reece Beekmeyer ◽  
Michael A. Parkes ◽  
Luke Ridgwell ◽  
Jamie W. Riley ◽  
Jiawen Chen ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Quantum Chemistry ◽  
Gas Phase ◽  
Photoelectron Spectroscopy ◽  
Structure And Dynamics ◽  
Quantum Chemistry Calculations ◽  
Anion Photoelectron Spectroscopy ◽  
Rotary Motor

Anion photoelectron spectroscopy and quantum chemistry calculations are employed to probe the electronic structure and dynamics of a unidirectional molecular rotary motor anion in the gas-phase.

Gas phase electronic structure of the 3d metal monoacetylides (MCCH, M = Sc .. Zn)

2016 ◽  
Vol 117 (2) ◽  
pp. 104-128 ◽  
Author(s):  
Shelby D. Dickerson ◽  
Nathan J. DeYonker
Keyword(s):  
Electronic Structure ◽  
Gas Phase
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