Photoabsorption measurements and theoretical calculations of the electronic state spectroscopy of propionic, butyric, and valeric acids

Literature Information

Publication Date 2009-05-07
DOI 10.1039/B823500G
Impact Factor 3.676
Authors

A. Vicente, R. Antunes, D. Almeida, I. J. A. Franco, S. V. Hoffmann, N. J. Mason, S. Eden, D. Duflot, S. Canneaux, J. Delwiche, M.-J. Hubin-Franskin


View Original

Abstract

Absolute photoabsorption cross sections of propionic (C2H5COOH), butyric (C3H7COOH), and valeric (C4H9COOH) acids have been measured from the dissociative π* ← nO transition (beginning around 5.0 eV) up to 10.7 eV. This constitutes the first study of the neutral electronic states of propionic and butyric acids at energies above the π* ← nO band, while no previous spectroscopic data is available for valeric acid in the present range. The present assignments are supported by the first theoretical calculations of electronic transition energies and oscillator strengths for these organic acids. In addition, the excitation energies of the vibrational modes of propionic acid in its neutral electronic ground state and the vertical ionisation energies of all three molecules have been calculated for the first time. The He(I) photoelectron spectroscopy of propionic acid has been measured from 10 to 16 eV, revealing new fine structure in the first ionic band.

Related Literature

The first tandem double palladium-catalyzed aminations: synthesis of dipyrido[1,2-a∶3′,2′-d]imidazole and its benzo- and aza-analogues

Kristof T. J. Loones, Bert U. W. Maes, Roger A. Dommisse, Guy L. F. Lemière

2004-09-20 Communication

DOI: 10.1039/B409161B

Shape of CeO2nanoparticles using simulated amorphisation and recrystallisation

Thi X. T. Sayle, Stephen C. Parker, Dean C. Sayle

2004-09-21 Communication

DOI: 10.1039/B408752F

Washing-free electrochemical DNA detection using double-stranded probes and competitive hybridization reaction

Kyuwon Kim, Haesik Yang, Se Ho Park, Dae-Sik Lee, Sung-Jin Kim, Yong Taik Lim, Youn Tae Kim

2004-05-28 Communication

DOI: 10.1039/B402914C

Unprecedented copper-catalyzed asymmetric conjugate addition of organometallic reagents to α,β-unsaturated lactams

Mauro Pineschi, Federica Del Moro, Adriaan J. Minnaard, Ben L. Feringa

2004-04-28 Communication

DOI: 10.1039/B403793F

Olefincopolymerizationvia reversible addition–fragmentation chain transfer

Rajan Venkatesh, Bastiaan B P Staal, Bert Klumperman

2004-05-20 Communication

DOI: 10.1039/B403342F

Preparation of helical gold nanowires on surfactant tubules

Ryo Takahashi, Tsutomu Ishiwatari

2004-05-17 Communication

DOI: 10.1039/B403676J

Effective stabilisation of α-helical structures in short peptides with acetylenic cross-linking agents

Kazuhisa Fujimoto, Natsuko Oimoto, Kahori Katsuno, Masahiko Inouye

2004-05-10 Communication

DOI: 10.1039/B403615H

Continuous preparation of functionalised calcium phosphatenanoparticles with adjustable crystallinity

Thea Welzel, Wolfgang Meyer-Zaika, Matthias Epple

2004-04-20 Communication

DOI: 10.1039/B402521K

Azobenzene derivatives with a long alkyl chain and aminoxyls

Masahiro Fujino, Takamitsu Amano, Hiroki Akutsu, Jun-ichi Yamada, Shin'ichi Nakatsuji

2004-09-03 Communication

DOI: 10.1039/B408432B

Molecularly imprinted polymer sensor arrays

Nathaniel T. Greene, Stephen L. Morgan, Ken D. Shimizu

2004-04-28 Communication

DOI: 10.1039/B401677G

You might also like

Compound Q&A

What precautions should be taken when handling 2-Chloro-1,2-bis(4-methylphenyl)ethanone (CAS: 71193-32-3)?

When handling 2-Chloro-1,2-bis(4-methylphenyl)ethanone (CAS: 71193-32-3), it is ...

71193-32-32-Chloro-1,2-bis(4-m...
Compound Q&A

What industries use 4-Ethoxy-3-(5-methyl-4-oxo-7-propyl-1,4-dihydroimidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonyl chloride (CAS: 224789-26-8)?

4-Ethoxy-3-(5-methyl-4-oxo-7-propyl-1,4-dihydroimidazo[5,1-f][1,2,4]triazin-2-yl...

224789-26-84-Ethoxy-3-(5-methyl...
Compound Q&A

How should Methyl 3-Oxo-4-Androsten-17-Carboxylate (CAS: 2681-55-2) be stored?

Methyl 3-Oxo-4-Androsten-17-Carboxylate (CAS: 2681-55-2) should be stored in a c...

2681-55-2Methyl 3-Oxo-4-Andro...
Compound Q&A

What are the main uses of (R)-3-Amino-4-(3-hexylphenylamino)-4-oxobutylphosphonic acid (CAS: 909725-61-7)?

(R)-3-Amino-4-(3-hexylphenylamino)-4-oxobutylphosphonic acid is primarily used i...

909725-61-7(R)-3-Amino-4-(3-hex...
Compound Q&A

What regulatory guidelines apply to 2-Methyl-2-propanyl 3-amino-3-carbamoyl-1-azetidinecarboxylate (CAS: 1254120-14-3)?

2-Methyl-2-propanyl 3-amino-3-carbamoyl-1-azetidinecarboxylate (CAS: 1254120-14-...

1254120-14-32-Methyl-2-propanyl ...
Compound Q&A

Are there alternatives to (E)-4-(tert-Butoxy)-4-oxobut-2-enoic acid (CAS: 135355-96-3) in synthesis?

There are alternative reagents that can be used in synthesis instead of (E)-4-(t...

135355-96-3(E)-4-(tert-Butoxy)-...
Compound Q&A

What are the physical and chemical properties of [2-(3-Chlorophenyl)-1,3-thiazol-4-yl]methanol (CAS: 121202-20-8)?

[2-(3-Chlorophenyl)-1,3-thiazol-4-yl]methanol (CAS: 121202-20-8) is a crystallin...

121202-20-8[2-(3-Chlorophenyl)-...
166249-17-8Methyl (2S)-[(4S)-2,...
Compound Q&A

What is the market or research trend for 1-Bromo-2-isocyanatoethane (CAS: 42865-19-0)?

The market for 1-Bromo-2-isocyanatoethane (CAS: 42865-19-0) is driven by its use...

42865-19-01-Bromo-2-isocyanato...
Compound Q&A

What are the main uses of 4-Nitro-D-phenylalanine hydrochloride (CAS: 147065-06-3)?

4-Nitro-D-phenylalanine hydrochloride (CAS: 147065-06-3) is primarily used in re...

147065-06-34-Nitro-D-phenylalan...

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.