Spectroscopic and quantum mechanical study of a scavenger molecule: N,N-diethylhydroxylamine.

Electrons Hydroxylamines Molecular Structure Photoelectron Spectroscopy Quantum Theory
NO compounds Near infrared spectroscopy Photoelectron spectroscopy Quantum mechanical modeling Rotational spectroscopy

Journal

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
ISSN: 1873-3557
Titre abrégé: Spectrochim Acta A Mol Biomol Spectrosc
Pays: England
ID NLM: 9602533

Informations de publication

Date de publication:
15 Nov 2022
Historique:
received: 01 04 2022
revised: 20 06 2022
accepted: 22 06 2022
pubmed: 5 8 2022
medline: 17 8 2022
entrez: 4 8 2022
Statut: ppublish

Résumé

We report a combination of quantum mechanical calculations and a range of spectroscopic measurements in the gas phase of N,N-diethylhydroxylamine, an important scavenger compound. Three conformers were observed by pulsed jet Fourier transform microwave spectroscopy in the 6.5-18.5 GHz frequency range. They are characterized by the hydroxyl hydrogen atom being in trans orientation with respect to the bisector of the CNC angle while the side alkyl chains can be both trans (global minimum, C

Identifiants

DOI: 10.1016/j.saa.2022.121555 PMID: 35926273
pubmed: 35926273
pii: S1386-1425(22)00704-1
doi: 10.1016/j.saa.2022.121555
pii:
doi:

Substances chimiques

Hydroxylamines 0
N,N-diethylhydroxylamine 314I05EDVH

Types de publication

Journal Article

Langues

eng

Sous-ensembles de citation

IM

Pagination

121555

Informations de copyright

Copyright © 2022 Elsevier B.V. All rights reserved.

Auteurs

Giovanna Salvitti (G)

Department of Chemistry "G. Ciamician", University of Bologna, I-40126 Bologna, Italy.

Emanuele Pizzano (E)

Department of Chemistry "G. Ciamician", University of Bologna, I-40126 Bologna, Italy; BASF Italia S.p.A., Pontecchio Marconi, I-40037 Bologna, Italy.

Filippo Baroncelli (F)

Department of Chemistry "G. Ciamician", University of Bologna, I-40126 Bologna, Italy.

Sonia Melandri (S)

Department of Chemistry "G. Ciamician", University of Bologna, I-40126 Bologna, Italy; Interdepartmental Centre for Industrial Aerospace Research (CIRI Aerospace), University of Bologna, I-47121 Forlì, Italy; Interdepartmental Centre for Industrial Agrifood Research (CIRI Agrifood), University of Bologna, I-47521 Cesena, Italy.

Luca Evangelisti (L)

Interdepartmental Centre for Industrial Aerospace Research (CIRI Aerospace), University of Bologna, I-47121 Forlì, Italy; Interdepartmental Centre for Industrial Agrifood Research (CIRI Agrifood), University of Bologna, I-47521 Cesena, Italy; Department of Chemistry "G. Ciamician", University of Bologna I-48123 Ravenna, Italy.

Fabrizia Negri (F)

Department of Chemistry "G. Ciamician", University of Bologna, I-40126 Bologna, Italy; INSTM, UdR Bologna, I-40126 Bologna, Italy.

Marcello Coreno (M)

CNR-ISM, Trieste LD2 Unit, I-34149 Basovizza, Trieste, Italy.

Kevin C Prince (KC)

Elettra-Sincrotrone Trieste, in Area Science Park, I-34149 Basovizza, Trieste, Italy; Department of Chemistry and Biotechnology, School of Science, Computing and Engineering Technology, Swinburne University of Technology, Hawthorn, Victoria, Australia.

Alessandra Ciavardini (A)

CNR-ISM, Trieste LD2 Unit, I-34149 Basovizza, Trieste, Italy; Elettra-Sincrotrone Trieste, in Area Science Park, I-34149 Basovizza, Trieste, Italy; Laboratory of Quantum Optics, University of Nova Gorica, Sl-5001 Nova Gorica, Slovenia.

Hanan Sa'adeh (H)

Elettra-Sincrotrone Trieste, in Area Science Park, I-34149 Basovizza, Trieste, Italy; Department of Physics, The University of Jordan, JO-11942 Amman, Jordan.

Matteo Pori (M)

BASF Italia S.p.A., Pontecchio Marconi, I-40037 Bologna, Italy.

Marzia Mazzacurati (M)

BASF Italia S.p.A., Pontecchio Marconi, I-40037 Bologna, Italy.

Assimo Maris (A)

Department of Chemistry "G. Ciamician", University of Bologna, I-40126 Bologna, Italy; Interdepartmental Centre for Industrial Aerospace Research (CIRI Aerospace), University of Bologna, I-47121 Forlì, Italy. Electronic address: assimo.maris@unibo.it.

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Classifications MeSH

questionsmedicales.fr › Phénomènes physiques › Phénomènes magnétiques › Phénomènes électromagnétiques › Électrons › Spectroscopic and quantum mechanical study of...
questionsmedicales.fr › Composés chimiques organiques › Amines › Hydroxylamines › Spectroscopic and quantum mechanical study of...
questionsmedicales.fr › Phénomènes chimiques › Structure moléculaire › Spectroscopic and quantum mechanical study of...
questionsmedicales.fr › Techniques d'investigation › Techniques de chimie analytique › Analyse spectrale › Spectroscopie photoélectronique › Spectroscopic and quantum mechanical study of...
questionsmedicales.fr › Disciplines des sciences naturelles › Physique › Physique nucléaire › Théorie quantique › Spectroscopic and quantum mechanical study of...