Molecular structure and infrared spectra of dimethyl oxalate

Literature Information

Publication Date 2002-02-04
DOI 10.1039/B107232N
Impact Factor 3.676
Authors

Susy Branco Lopes, Leszek Lapinski, Rui Fausto


View Original

Abstract

Infrared spectra of dimethyl oxalate isolated in low-temperature argon matrix and of the compound in the solid amorphous and crystalline state are reported. The experimental observations are interpreted in terms of a large amplitude, low frequency vibration along the torsional coordinate OC–CO. Assumption of the large amplitude vibration allows consistent explanation of the spectra observed in matrixes and in the gas phase, and the differences between these and the spectrum of the compound in the crystalline state, in which the planar trans structure is fixed. IR spectra of crystalline dimethyl oxalate clearly show that in the relaxed crystal lattice only the trans form is populated. Davydov splitting, due to the presence of two molecules per unit cell, was observed for several bands in the IR spectrum of the crystalline compound.

Related Literature

TEMPO catalyzed oxidative dehydrogenation of hydrazobenzenes to azobenzenes

Ronibala Devi Laishram, Yong Yang, Jiayan Li, Dandan Xu, Yong Zhan, Yang Luo, Zhimin Su, Sagar More

2020-04-15 Communication

DOI: 10.1039/D0OB00103A

Characterization of the promiscuous N-acyl CoA transferase, LgoC, in legonoxamine biosynthesis

Justine Renault, Laurent Trembleau, Catherine Victoria, Ming Him Tong, Shan Wang, Kwaku Kyeremeh, Hai Deng

2020-03-04 Communication

DOI: 10.1039/D0OB00320D

Effect of n-alkyl substitution on Cu(ii)-selective chemosensing of rhodamine B derivatives

Santosh Kumar Mishra

2019-12-04 Paper

DOI: 10.1039/C9OB02439E

Front cover

Cover

DOI: 10.1039/D0OB90036B

A Rh-catalyzed three-component reaction for the diastereoselective synthesis of pyrazolone derivatives with contiguous quaternary stereocenters

Chaoqun Ao, Jingjing Huang, Xinfang Xu, Shikun Jia, Zhenghui Kang, Wenhao Hu

2020-04-13 Communication

DOI: 10.1039/D0OB00482K

Contents list

Front/Back Matter

DOI: 10.1039/D0OB90055A

Structure elucidation of bacterial nonribosomal lipopeptides

Sebastian Götze, Pierre Stallforth

2020-02-03 Review Article

DOI: 10.1039/C9OB02539A

Synthetic approaches towards avibactam and other diazabicyclooctane β-lactamase inhibitors

Laure Peilleron, Kevin Cariou

2020-01-13 Review Article

DOI: 10.1039/C9OB02605C

L. pneumophila CMP-5,7-di-N-acetyllegionaminic acid synthetase (LpCLS)-involved chemoenzymatic synthesis of sialosides and analogues

John B. McArthur, Abhishek Santra, Wanqing Li, Anoopjit S. Kooner, Ziqi Liu, Hai Yu, Xi Chen

2019-12-30 Paper

DOI: 10.1039/C9OB02476J

You might also like

Compound Q&A

What regulatory guidelines apply to 6-Bromo-2-methylimidazo[1,2-a]pyrimidine (CAS: 1111638-05-1)?

6-Bromo-2-methylimidazo[1,2-a]pyrimidine (CAS: 1111638-05-1) falls under various...

1111638-05-16-Bromo-2-methylimid...
Compound Q&A

Are there alternatives to 1-Pyrrolidineethanol, β-methyl-α-phenyl-, (αS,βR) (CAS: 123620-80-4) in synthesis?

While there are no direct alternatives, similar compounds like 1-Pyrrolidineetha...

123620-80-41-Pyrrolidineethanol...
Compound Q&A

Is 4-Methyl-2,6-bis(2-methyl-2-propanyl)phenyl methylcarbamate (CAS: 1918-11-2) safe?

4-Methyl-2,6-bis(2-methyl-2-propanyl)phenyl methylcarbamate (CAS: 1918-11-2) is ...

1918-11-24-Methyl-2,6-bis(2-m...
Compound Q&A

How should 2-(3-Bromo-4-fluorophenyl)-1,3-dioxolane (CAS: 77771-04-1) be stored?

2-(3-Bromo-4-fluorophenyl)-1,3-dioxolane (CAS: 77771-04-1) should be stored in a...

77771-04-12-(3-Bromo-4-fluorop...
Compound Q&A

What are the physical and chemical properties of 4,5,6,7-Tetrahydro-1H-indazole hydrochloride (CAS: 18161-11-0)?

4,5,6,7-Tetrahydro-1H-indazole hydrochloride is a white crystalline solid with a...

18161-11-04,5,6,7-Tetrahydro-1...
Compound Q&A

What is (2R)-1-Methoxy-3-phenyl-2-propanamine (CAS: 59919-07-2)?

(2R)-1-Methoxy-3-phenyl-2-propanamine is a chiral organic compound with the CAS ...

59919-07-2(2R)-1-Methoxy-3-phe...
Compound Q&A

What industries use Ethyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate (CAS: 56649-47-9)?

Ethyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate is used in various industries...

56649-47-9Ethyl 1-(1-phenyleth...
Compound Q&A

What regulatory guidelines apply to 4-[(1E,3S)-1-(4-Hydroxyphenyl)-1,4-pentadien-3-yl]phenol (CAS: 17676-24-3)?

4-[(1E,3S)-1-(4-Hydroxyphenyl)-1,4-pentadien-3-yl]phenol (CAS: 17676-24-3) falls...

17676-24-34-[(1E,3S)-1-(4-Hydr...
Compound Q&A

What industries use (S)-3-Amino-5-phenylpentanoic acid hydrochloride (CAS: 331846-97-0)?

(S)-3-Amino-5-phenylpentanoic acid hydrochloride is primarily used in the pharma...

331846-97-0(S)-3-Amino-5-phenyl...
Compound Q&A

How is 7-methoxy-1-benzothiophene-2-carboxylic acid (CAS: 88791-07-5) typically synthesized?

7-Methoxy-1-benzothiophene-2-carboxylic acid is typically synthesized by reactin...

88791-07-57-methoxy-1-benzothi...

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.