On the method of precise abundance determination of isotopologues in a gas mixture
Literature Information
Oleg N. Ulenikov, Elena S. Bekhtereva, Olga V. Gromova, Anastasia S. Belova, Sigurd Bauerecker
A method is presented which allows one to derive partial pressures of isotopologue molecules in a gaseous mixture under the conditions of rapid isotope exchange. For this purpose, isotopic relations between effective dipole moment parameters of a “parent” molecule and its related isotopically substituted species are derived on the basis of the general isotopic substitution theory. The efficiency of the method is illustrated. The result was derived for the fundamental bands and is valid for any asymmetric top molecule. The discussed general consideration offers the possibility to obtain analogous results both for any overtone as well as combinational bands of any asymmetric top molecule, and (with minor corrections) for any symmetric and/or spherical top molecule. The validity and efficiency of the general results are confirmed by comparison of the general results obtained in the present paper with the experimental results for the H2O/HDO molecules with a deviation of 3 to 4%.
Related Literature
Robotically automated 3D printing and testing of thermoplastic material specimens
Christina Schenk, Lucía Echevarría-Pastrana, De-Yi Wang, Maciej Haranczyk
DOI: 10.1039/D3DD00141E
Unveiling the synthesis patterns of nanomaterials: a text mining and meta-analysis approach with ZIF-8 as a case study
Joseph R. H. Manning, Lev Sarkisov
DOI: 10.1039/D3DD00099K
Domain-specific chatbots for science using embeddings
Kevin G. Yager
DOI: 10.1039/D3DD00112A
Understanding the patterns that neural networks learn from chemical spectra
Laura Hannemose Rieger, Max Wilson, Tejs Vegge, Eibar Flores
DOI: 10.1039/D3DD00203A
Accelerating nano-XANES imaging via feature selection
Samantha Tetef, Ajith Pattammattel, Yong S. Chu, Maria K. Y. Chan, Gerald T. Seidler
DOI: 10.1039/D3DD00146F
De novo generated combinatorial library design
Morteza Haghir Chehreghani
DOI: 10.1039/D3DD00095H
Na metal anodes for liquid and solid-state Na batteries
Parham Pirayesh, Enzhong Jin, Yijia Wang, Yang Zhao
DOI: 10.1039/D3EE03477A
Towards a modular architecture for science factories
Rafael Vescovi, Tobias Ginsburg, Kyle Hippe, Doga Ozgulbas, Casey Stone, Abraham Stroka, Rory Butler, Tom Brettin, Arvind Ramanathan, Aikaterini Vriza, Qingteng Zhang
DOI: 10.1039/D3DD00142C
Automatic mechanism generation involving kinetics of surface reactions with bidentate adsorbates
Bjarne Kreitz, Katrín Blöndal, Kirk Badger, Richard H. West, C. Franklin Goldsmith
DOI: 10.1039/D3DD00184A
High-loading As single-atom catalysts harvested from wastewater towards efficient and sustainable oxygen reduction
Yangjun Luo, Yanwei Wang, Youyuan Wang, Jin Wan, Chuanzhen Feng, Lingmei Liu, Zaiping Guo, Jian Li
DOI: 10.1039/D3EE03274D
You might also like
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...
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...
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...
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...
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...
What is 6-Formyl-2-pyridinecarboxylic acid (CAS: 499214-11-8)?
6-Formyl-2-pyridinecarboxylic acid is an organic compound with the molecular for...
What is the market or research trend for 3-(3,4-dimethoxyphenyl)-2,5-dimethyl-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine (CAS: 900874-91-1)?
Research trends for this compound indicate a focus on its potential applications...
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...
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...
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: ...
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.














