Gas-Phase Structures of Pb2+-Cationized Phenylalanine and Glutamic Acid Determined by Infrared Multiple Photon Dissociation Spectroscopy and Computational Chemistry

2012 ◽  
Vol 117 (6) ◽  
pp. 1283-1290 ◽  
Author(s):  
Michael B. Burt ◽  
Travis D. Fridgen
Keyword(s):  
Glutamic Acid ◽  
Computational Chemistry ◽  
Gas Phase ◽  
Phase Structures ◽  
Infrared Multiple Photon Dissociation

Assessing the impact of anion–π effects on phenylalanine ion structures using IRMPD spectroscopy

2014 ◽  
Vol 16 (44) ◽  
pp. 24223-24234 ◽  
Author(s):  
Michael Burt ◽  
Kathleen Wilson ◽  
Rick Marta ◽  
Moaraj Hasan ◽  
W. Scott Hopkins ◽  
...  
Keyword(s):  
Gas Phase ◽  
Irmpd Spectroscopy ◽  
Phase Structures ◽  
Infrared Multiple Photon Dissociation ◽  
Fluorinated Derivatives ◽  
The Impact

The gas-phase structures of two halide-bound phenylalanine anions (PheX−, X = Cl− or Br−) and five fluorinated derivatives have been identified using infrared multiple photon dissociation (IRMPD) spectroscopy.

Infrared Multiple Photon Dissociation Action Spectroscopy of Protonated Unsymmetrical Dimethylhydrazine and Proton-bound Dimers of Hydrazine and Unsymmetrical Dimethylhydrazine

2021 ◽  
Author(s):  
Christopher P. McNary ◽  
Maria Demireva ◽  
Jonathan Martens ◽  
Giel Berden ◽  
Jos Oomens ◽  
...  
Keyword(s):  
Gas Phase ◽  
Action Spectroscopy ◽  
Phase Structures ◽  
Unsymmetrical Dimethylhydrazine ◽  
Infrared Multiple Photon Dissociation

The gas-phase structures of protonated unsymmetrical 1,1-dimethylhydrazine (UDMH) and the proton-bound dimers of UDMH and hydrazine are examined by infrared multiple photon dissociation (IRMPD) action spectroscopy utilizing light generated by...

Serine O-sulfation probed by IRMPD spectroscopy

2015 ◽  
Vol 17 (39) ◽  
pp. 25891-25904 ◽  
Author(s):  
Roberto Paciotti ◽  
Cecilia Coletti ◽  
Nazzareno Re ◽  
Debora Scuderi ◽  
Barbara Chiavarino ◽  
...  
Keyword(s):  
Gas Phase ◽  
Irmpd Spectroscopy ◽  
Phase Structures ◽  
Infrared Multiple Photon Dissociation

The gas phase structures of (de)protonatedO-sulfoserine ions have been revealed by infrared multiple photon dissociation (IRMPD) spectroscopy and computations.

scholarly journals Experimental and theoretical investigations of infrared multiple photon dissociation spectra of lysine complexes with Zn2+ and Cd2+

2018 ◽  
Vol 25 (1) ◽  
pp. 97-111 ◽  
Author(s):  
Cameron J Owen ◽  
Georgia C Boles ◽  
Giel Berden ◽  
Jos Oomens ◽  
PB Armentrout
Keyword(s):  
Amino Acid ◽  
Gas Phase ◽  
Single Point ◽  
Basis Sets ◽  
Side Chain ◽  
Amine Group ◽  
Linear Absorption ◽  
Action Spectra ◽  
Phase Structures ◽  
Infrared Multiple Photon Dissociation

The gas-phase structures of zinc and cadmium complexes of lysine (Lys) are investigated via a combination of infrared multiple photon dissociation action spectroscopy and ab initio quantum chemical calculations. In order to unambiguously identify the experimentally observed species, [Zn(Lys−H)]+ and CdCl+(Lys), the action spectra were compared to linear absorption spectra calculated at the B3LYP level of theory, using 6-311+G(d,p) and def2-TVZP basis sets for the zinc and cadmium systems, respectively. Single point energies were also calculated at the B3LYP, B3P86, MP2, and B3LYP-GD3BJ (accounting for empirical dispersion) levels of theory using larger basis sets. Identification of the experimentally formed isomers is possible through good agreement between infrared multiple photon dissociation action spectra and the theoretically predicted spectra. The [Zn(Lys−H)]+ complex adopts a tridentate orientation involving the amino acid backbone amine and deprotonated carboxylic acid groups as well as the side-chain amine group, [Nα,CO−,Nɛ]. The CdCl+(Lys) complex similarly adopts a tridentate chelation involving the amino acid backbone amine and carbonyl groups, as well as the side-chain amine group, [Nα,CO,Nɛ]. In both cases, the identified complexes are the lowest energy gas-phase structures at all levels of theory.

A vibrational spectroscopic and computational study of the structures of protonated imidacloprid and its fragmentation products in the gas phase

2021 ◽  
Vol 23 (5) ◽  
pp. 3377-3388
Author(s):  
Kelsey J. Menard ◽  
Jonathan Martens ◽  
Travis D. Fridgen
Keyword(s):  
Computational Chemistry ◽  
Gas Phase ◽  
Vibrational Spectroscopy ◽  
Computational Study ◽  
Unimolecular Decomposition ◽  
Decomposition Products

Vibrational spectroscopy and computational chemistry studies were combined with the aim of elucidating the structures of protonated imidacloprid (pIMI), and its unimolecular decomposition products.

The gas-phase structures of perfluoroquinolizidine and perfluorotripropylamine

1989 ◽  
Vol 197 ◽  
pp. 329-338 ◽  
Author(s):  
Hans-Georg Mack ◽  
Heinz Oberhammer
Keyword(s):  
Gas Phase ◽  
Phase Structures

Experimental and theoretical investigations of infrared multiple photon dissociation spectra of glutamic acid complexes with Zn2+and Cd2+

2017 ◽  
Vol 19 (19) ◽  
pp. 12394-12406 ◽  
Author(s):  
Georgia C. Boles ◽  
Cameron J. Owen ◽  
Giel Berden ◽  
Jos Oomens ◽  
P. B. Armentrout
Keyword(s):  
Amino Acid ◽  
Glutamic Acid ◽  
Infrared Multiple Photon Dissociation ◽  
Theoretical Investigations

IRMPD of [Zn(Glu-H)ACN]+was particularly interesting because fragmentation of the amino acid was favored, rather than dissociation of the ACN ligand.

Gas-phase structures of ethynyl- and vinyl pentafluorosulfur derivatives: an electron diffraction and microwave spectroscopy study

1991 ◽  
Vol 249 (2-4) ◽  
pp. 285-295 ◽  
Author(s):  
Petra Zylka ◽  
Dines Christen ◽  
Heinz Oberhammer ◽  
Gary L. Gard ◽  
R.J. Terjeson
Keyword(s):  
Electron Diffraction ◽  
Gas Phase ◽  
Microwave Spectroscopy ◽  
Spectroscopy Study ◽  
Phase Structures
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