Infrared multiple photon dissociation spectrum of protonated bis(2-methoxyethyl) ether obtained with a tunable CO2 laser
Literature Information
M. U. Ehsan, Y. Bozai, W. L. Pearson, III, N. A. Horenstein, J. R. Eyler
A moderate-resolution infrared multiple photon dissociation (IRMPD) spectrum of protonated bis(2-methoxyethyl) ether (diglyme) was obtained using a grating-tuned CO2 laser. The experimental spectrum compares well with one calculated theoretically at the MP2 level and exhibits defined peaks over the span of the CO2 laser output lines as opposed to a relatively featureless spectrum over this wavelength range obtained using free electron laser infrared radiation. The lowest energy structure corresponding to the calculated vibrational spectrum is consistent with structures previously calculated at the same level of theory. Alternative structures were calculated at lower levels of theory for comparison and investigation of the energetics of proton-heteroatom interactions. Broadening of the IRMPD action spectrum due to energetic phenomena characteristic of proton bridges was not observed and thus did not obscure the correlation between theoretical calculations and experimentally determined spectra as it may have in previous studies.
Related Literature
pH dependent reactivity of boehmite surfaces from first principles molecular dynamics
William Smith, Maxime Pouvreau, Kevin Rosso
DOI: 10.1039/D2CP00534D
Stochastic effective core potentials, improving efficiency using a spin-dependent core definition
Jonas Feldt, Antoine Bienvenu, Roland Assaraf
DOI: 10.1039/D2CP01357F
GaN/MgI2 van der Waals heterostructure: a two-factor tunable photocatalyst for hydrogen evolution
Hua Zhu, Yang Shen, Qianglong Fang, Xiaodong Yang, Liang Chen, Shiqing Xu
DOI: 10.1039/D2CP01456D
Ab initio trajectory surface-hopping dynamics studies of excited-state proton-coupled electron transfer reactions in trianisoleheptazine–phenol complexes
Xiang Huang, Wolfgang Domcke
DOI: 10.1039/D2CP01262F
Introduction to the themed collection on photopolymer science dedicated to Ewa Andrezejewska
Kurt Dietliker, Robert Liska, Marco Sangermano
DOI: 10.1039/D2PY90020C
Donors, acceptors, and a bit of aromatics: electronic interactions of molecular adsorbates on hBN and MoS2 monolayers
Jannis Krumland, Marcella Iannuzzi
DOI: 10.1039/D2CP01502A
Auger electron spectroscopy of fulminic acid, HCNO: an experimental and theoretical study
Marius Gerlach, Tobias Preitschopf, Emil Karaev, Heidy M. Quitián-Lara, Dennis Mayer, John Bozek, Ingo Fischer, Reinhold F. Fink
DOI: 10.1039/D2CP02104H
Can domain-based local pair natural orbitals approaches accurately predict phosphorescence energies?
Giovanna Bruno, Bernardo de Souza, Frank Neese
DOI: 10.1039/D2CP01623K
ALS-associated A315E and A315pT variants exhibit distinct mechanisms in inducing irreversible aggregation of TDP-43312–317 peptides
Xianshi Liu, Zenghui Lao, Xuhua Li, Xuewei Dong, Guanghong Wei
DOI: 10.1039/D2CP01625G
You might also like
What precautions should be taken when handling 2-Methyl-2-propanyl 5-amino-2-thiophenecarboxylate (CAS: 1498311-57-1)?
When handling 2-Methyl-2-propanyl 5-amino-2-thiophenecarboxylate (CAS: 1498311-5...
What are the physical and chemical properties of 5-Bromo-1,2-dichloro-3-fluorobenzene (CAS: 1000572-93-9)?
5-Bromo-1,2-dichloro-3-fluorobenzene (CAS: 1000572-93-9) is a crystalline solid ...
How should (2R)-2-Amino-2-(4-bromophenyl)ethanol (CAS: 354153-64-3) be stored?
(2R)-2-Amino-2-(4-bromophenyl)ethanol (CAS: 354153-64-3) should be stored in a c...
What regulatory guidelines apply to Methyl 4-(aminomethyl)tetrahydro-2H-pyran-4-carboxylate hydrochloride (CAS: 362707-24-2)?
Methyl 4-(aminomethyl)tetrahydro-2H-pyran-4-carboxylate hydrochloride (CAS: 3627...
What are the main uses of 1,4-dimethyl-1H-pyrazole-5-sulfonyl chloride (CAS: 1174834-52-6)?
1,4-Dimethyl-1H-pyrazole-5-sulfonyl chloride is primarily used as an intermediat...
Is Dinaphtho[1,2-b:2',1'-d]furan (CAS: 239-69-0) safe?
Dinaphtho[1,2-b:2',1'-d]furan is generally safe when handled with appropriate pe...
What is the market or research trend for 7-Methyl-7,9-dihydro-1H-purine-2,6,8(3H)-trione (CAS: 612-37-3)?
The market for 7-Methyl-7,9-dihydro-1H-purine-2,6,8(3H)-trione (CAS: 612-37-3) i...
What are the physical and chemical properties of 2-(4-Chlorophenyl)malonaldehyde (CAS: 205676-17-1)?
2-(4-Chlorophenyl)malonaldehyde (CAS: 205676-17-1) is a colorless or light yello...
How is 2-Methylchrysene (CAS: 3351-32-4) typically synthesized?
2-Methylchrysene (CAS: 3351-32-4) is typically synthesized via the reaction of c...
Is N-(6-aminopyrimidin-4-yl)acetamide (CAS: 89533-23-3) safe?
N-(6-aminopyrimidin-4-yl)acetamide (CAS: 89533-23-3) is generally considered saf...
Source Journal
Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.














