Structure determination of trans-cinnamaldehyde by broadband microwave spectroscopy

Literature Information

Publication Date 2015-05-15
DOI 10.1039/C5CP02582F
Impact Factor 3.676
Authors


View Original

Abstract

The rotational spectrum of trans-cinnamaldehyde ((E)-3-phenyl-2-propenal, C9H8O) was recorded by chirped-pulse Fourier transform microwave spectroscopy in the frequency range of 2–8.5 GHz. The odourant molecule is the essential component of cinnamon oil and causes the characteristic smell. The rotational signatures of two conformers were observed: s-trans–trans- and s-cis–trans-cinnamaldehyde. The rotational spectra of s-trans–trans-cinnamaldehyde and all of its 13C-monosubstituted species in natural abundance were assigned and the corresponding carbon backbone structure was determined. The second conformer s-cis–trans-cinnamaldehyde is about 9 kJ mol−1 higher in energy and could also be identified in the spectrum.

Related Literature

Screening heteroatom distributions in zeotype materials using an effective Hamiltonian approach: the case of aluminogermanate PKU-9

Ricardo Grau-Crespo, Dewi W. Lewis, A. Rabdel Ruiz-Salvador

2018-06-06 Paper

DOI: 10.1039/C8CP01369A

Delocalized hole transport coupled to sub-ns tryptophanyl deprotonation promotes photoreduction of class II photolyases

Fabien Lacombat, Agathe Espagne, Nadia Dozova, Pascal Plaza, Elisabeth Ignatz, Stephan Kiontke, Lars-Oliver Essen

2018-09-20 Paper

DOI: 10.1039/C8CP04548H

Electrical property and Schottky behavior of a flexible Schiff-base compound: X-ray structure and stabilization of 1D water chain

Basudeb Dutta, Joydeep Datta, Suvendu Maity, Chittaranjan Sinha, Di Sun, Partha Pratim Ray, Mohammad Hedayetullah Mir

2018-09-03 Paper

DOI: 10.1039/C8CP04569K

Charge-induced structural transition between seashell-like B29− and B29+ in 18 π-electron configurations

Hai-Ru Li, Miao Yan, Qiang Chen, Yue-Wen Mu, Hai-Gang Lu, Yan-Bo Wu, Si-Dian Li

2018-05-02 Paper

DOI: 10.1039/C8CP01078A

Correction: Surface induced smectic order in ionic liquids – an X-ray reflectivity study of [C22C1im]+[NTf2]−

Henning Weiss, Hailong Li, Oleg Konovalov, Sven Festersen, Uta Rütt

2018-09-12 Correction

DOI: 10.1039/C8CP91851A

Stability of metallo-porphyrin networks under oxygen reduction and evolution conditions in alkaline media

Diana Hötger, Markus Etzkorn, Benjamin Wurster, Jan Dreiser, Sebastian Stepanow, Doris Grumelli, Rico Gutzler

2019-01-11 Paper

DOI: 10.1039/C8CP07463A

Ion collision-induced chemistry in pure and mixed loosely bound clusters of coronene and C60 molecules

Alicja Domaracka, Rudy Delaunay, Arkadiusz Mika, Michael Gatchell, Henning Zettergren, Henrik Cederquist, Patrick Rousseau, Bernd A. Huber

2018-05-02 Paper

DOI: 10.1039/C8CP01179F

Ultra-broadband EPR spectroscopy in field and frequency domains

D. Bloos, R. Marx, P. Lutz, M. Kern, O. Laguta, C. Dietrich, J. van Slageren

2018-05-14 Paper

DOI: 10.1039/C7CP07443C

You might also like

Compound Q&A

How should 2-Methylbenzene-1,4-diamine dihydrochloride (CAS: 615-45-2) be stored?

2-Methylbenzene-1,4-diamine dihydrochloride (CAS: 615-45-2) should be stored in ...

615-45-22-Methylbenzene-1,4-...
Compound Q&A

Is (1S,4S)-2,5-Diazabicyclo[2.2.1]heptane dihydrobromide (CAS: 132747-20-7) safe?

(1S,4S)-2,5-Diazabicyclo[2.2.1]heptane dihydrobromide is generally considered sa...

132747-20-7(1S,4S)-2,5-Diazabic...
Compound Q&A

What industries use (6-Chloropyridazin-3-YL)methanamine (CAS: 871826-15-2)?

(6-Chloropyridazin-3-YL)methanamine finds applications in the pharmaceutical ind...

871826-15-2(6-Chloropyridazin-3...
Compound Q&A

What are the main uses of 2-Fluoro-3-methylphenol (CAS: 77772-72-6)?

2-Fluoro-3-methylphenol is primarily used in the synthesis of pharmaceuticals, p...

77772-72-62-Fluoro-3-methylphe...
Compound Q&A

What precautions should be taken when handling 3-Methoxy-4-nitrobenzonitrile (CAS: 177476-75-4)?

When handling 3-Methoxy-4-nitrobenzonitrile, it is important to wear appropriate...

177476-75-43-Methoxy-4-nitroben...
Compound Q&A

What precautions should be taken when handling 1,3-Oxazolo[4,5-b]pyridine-2(3H)-thione (CAS: 211949-57-4)?

When handling 1,3-Oxazolo[4,5-b]pyridine-2(3H)-thione (CAS: 211949-57-4), it is ...

211949-57-4[1,3]Oxazolo[4,5-b]p...
Compound Q&A

What regulatory guidelines apply to 4-Ethynylbenzamide (CAS: 90347-86-7)?

4-Ethynylbenzamide (CAS: 90347-86-7) falls under various regulatory guidelines i...

90347-86-74-Ethynylbenzamide
Compound Q&A

What are the main uses of 3-(2-Ethylphenyl)-2-thioxo-4-imidazolidinone (CAS: 186822-57-1)?

3-(2-Ethylphenyl)-2-thioxo-4-imidazolidinone is primarily used as an intermediat...

186822-57-13-(2-Ethylphenyl)-2-...
Compound Q&A

What is (2-Fluoro-6-methoxyphenyl)acetic acid (CAS: 500912-19-6)?

(2-Fluoro-6-methoxyphenyl)acetic acid, also known as 4-fluoro-3-methoxybenzoic a...

500912-19-6(2-Fluoro-6-methoxyp...
Compound Q&A

What is the market or research trend for 2-[4-(Hydroxymethyl)phenoxy]ethanol (CAS: 102196-18-9)?

Market trends for 2-[4-(Hydroxymethyl)phenoxy]ethanol (CAS: 102196-18-9) indicat...

102196-18-92-[4-(Hydroxymethyl)...

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.