Temperature dependence of CO2 and N2 core-electron excitation spectra at high pressure

Literature Information

Publication Date 2013-05-08
DOI 10.1039/C3CP50512J
Impact Factor 3.676
Authors

J. Inkinen, K. O. Ruotsalainen, T. Pylkkänen, J. Niskanen, S. Galambosi, M. Hakala, G. Monaco, K. Hämäläinen


View Original

Abstract

We report a study on the temperature dependence of the core-electron excitation spectra of CO2 and N2, performed using non-resonant inelastic X-ray scattering spectroscopy. The spectra were measured at two temperatures (300 K and 850 K) and at high pressure (40 bar). For CO2 a clear temperature dependence was observed at the C and O near-edge regions. The spectra of CO2 were simulated by density functional theory calculations, and the temperature was accounted for by sampling the initial state molecular geometries using the Metropolis algorithm. This model is able to account for the experimentally observed temperature dependence of the spectrum. The experiment fortifies the status of the non-resonant inelastic X-ray scattering spectroscopy as a valuable technique for physics and chemistry for in situ studies under extreme sample conditions. Especially in the case of gas phase the sample conditions of considerably elevated temperature and pressure are unfeasible for many other spectroscopic techniques.

Related Literature

The combined detection of ovarian cancer biomarkers HE4 and CA125 by a fluorescence and quantum dot dual-signal immunoassay

Shuange Yao, Wei Xiao, Hui Chen, Yong Tang, Qifang Song, Qubo Zheng, Ning Deng

2019-08-20 Paper

DOI: 10.1039/C9AY01454C

Multidimensional scaling assisted Fourier-transform infrared spectroscopic analysis of fruit wine samples: introducing a novel analytical approach

Keshav Kumar, Anja Giehl, Ralf Schweiggert, Claus-Dieter Patz

2019-07-25 Paper

DOI: 10.1039/C9AY01425J

A matrix of perovskite micro-seeds and polypyrrole nanotubes tethered laccase/graphite biosensor for sensitive quantification of 2,4-dichlorophenol in wastewater

Shivamurthy Ravindra Yashas, Shadakshari Sandeep, Ballagere Puttaraju Shivakumar, Ningappa Kumar Swamy

2019-08-19 Paper

DOI: 10.1039/C9AY01468C

An investigation of new electrochemical sensors for curcumin detection: a mini review

Rosan Zokhtareh, Mostafa Rahimnejad

2019-08-06 Minireview

DOI: 10.1039/C9AY01352K

Back cover

Cover

DOI: 10.1039/C9AY90150G

A label-free turn ON–OFF chemiluminescence strategy for lysozyme detection by target-triggered Cu2−xSe aggregation

Hong Yan Zou, Fang Fang Zhang, Qing Juan Guo, Tong Yang

2019-07-24 Paper

DOI: 10.1039/C9AY01288E

Molecular brass: Cu4Zn4, a ligand protected superatom cluster

Kerstin Freitag, Hung Banh, Christian Gemel, Rüdiger W. Seidel, Samia Kahlal, Jean-Yves Saillard, Roland A. Fischer

2014-06-19 Communication

DOI: 10.1039/C4CC03401E

Comparison of SEC and AF4 analytical tools for size estimation of typhoid Vi polysaccharides

Elisa Jean, Marie Paillagot, Alexia Renoud, Alice Raillard, Joseph Paladino, Marc Le Borgne

2019-09-05 Technical Note

DOI: 10.1039/C9AY00145J

Contents list

Front/Back Matter

DOI: 10.1039/C9AY90145K

Surfactant-templated zeolites for the production of active pharmaceutical intermediates

Noemi Linares, Francisco G. Cirujano, Dirk E. De Vos, J. García-Martínez

2019-10-10 Communication

DOI: 10.1039/C9CC06696A

You might also like

Compound Q&A

What are the main uses of 1H-Indazole-6-carbonitrile (CAS: 141290-59-7)?

1H-Indazole-6-carbonitrile finds applications in pharmaceuticals, where it serve...

141290-59-71H-Indazole-6-carbon...
Compound Q&A

How should waste containing Dioctyl (2E)-2-butenedioate (CAS: 2997-85-5) be handled?

Waste containing Dioctyl (2E)-2-butenedioate (CAS: 2997-85-5) should be collecte...

2997-85-5Dioctyl (2E)-2-buten...
Compound Q&A

What industries use Sodium [(1,2-benzoxazol-3-ylmethyl)sulfonyl]azanide (CAS: 68291-98-5)?

Sodium [(1,2-benzoxazol-3-ylmethyl)sulfonyl]azanide is primarily used in pharmac...

68291-98-5Sodium [(1,2-benzoxa...
Compound Q&A

Are there alternatives to Dimethyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,6-pyridinedicarboxylate (CAS: 741709-66-0) in synthesis?

Dimethyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,6-pyridinedicarboxyla...

741709-66-0Dimethyl 4-(4,4,5,5-...
Compound Q&A

How should waste containing 2-Fluoro-6-hydrazinopyridine (CAS: 80714-39-2) be handled?

Waste containing 2-Fluoro-6-hydrazinopyridine (CAS: 80714-39-2) should be manage...

80714-39-22-Fluoro-6-hydrazino...
Compound Q&A

What is 6-Formyl-2-pyridinecarboxylic acid (CAS: 499214-11-8)?

6-Formyl-2-pyridinecarboxylic acid is an organic compound with the molecular for...

499214-11-86-Formyl-2-pyridinec...
900874-91-13-(3,4-dimethoxyphen...
Compound Q&A

How is 9H-Tribenzo[b,d,f]azepine (CAS: 29875-73-8) typically synthesized?

9H-Tribenzo[b,d,f]azepine is typically synthesized via a multi-step process invo...

29875-73-89H-Tribenzo[b,d,f]az...
Compound Q&A

How is 1-Cyclopropyl-7-ethoxy-6-fluoro-8-methoxy-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid (CAS: 1797982-51-4) typically synthesized?

1-Cyclopropyl-7-ethoxy-6-fluoro-8-methoxy-4-oxo-1,4-dihydro-3-quinolinecarboxyli...

1797982-51-41-Cyclopropyl-7-etho...
Compound Q&A

How should waste containing Methyl 3-oxo-1,2,3,4-tetrahydro-6-quinoxalinecarboxylate (CAS: 671820-52-3) be handled?

Waste containing Methyl 3-oxo-1,2,3,4-tetrahydro-6-quinoxalinecarboxylate (CAS: ...

671820-52-3Methyl 3-oxo-1,2,3,4...

Source Journal

Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
Articles per Year: 3036

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.

Recommended Compounds

Recommended Suppliers

Disclaimer
This page provides academic journal information for reference and research purposes only. We are not affiliated with any journal publishers and do not handle publication submissions. For publication-related inquiries, please contact the respective journal publishers directly.
If you notice any inaccuracies in the information displayed, please contact us at support@chemtradehub.com. We will promptly review and address your concerns.