Infrared spectra of ovalene (C32H14) and hydrogenated ovalene (C32H15˙) in solid para-hydrogen

Literature Information

Publication Date 2016-09-22
DOI 10.1039/C6CP05701B
Impact Factor 3.676
Authors

Masashi Tsuge, Mohammed Bahou, Yu-Jong Wu, Louis Allamandola


View Original

Abstract

We report the infrared (IR) spectra of ovalene (C32H14) and hydrogenated ovalene (C32H15˙) in solid para-hydrogen (p-H2). The hydrogenated ovalene and protonated ovalene were generated from electron bombardment of a mixture of ovalene and p-H2 during deposition of a matrix at 3.2 K. The features that decreased with time have been previously assigned to 7-C32H15+, the most stable isomer of protonated ovalene (Astrophys. J., 2016, 825, 96). The spectral features that increased with time are assigned to the most stable isomer of hydrogenated ovalene (7-C32H15˙) based on the expected chemistry and on a comparison with the vibrational wavenumbers and IR intensities predicted by the B3PW91/6-311++G(2d,2p) method. The mechanism of formation of 7-C32H15˙ is discussed according to the observed changes in intensity and calculated energetics of possible reactions of H + C32H14 and isomerization of C32H15˙. The formation of 7-C32H15˙ is dominated by the reaction H + C32H14 → 7-C32H15˙, implying that, regardless of the presence of a barrier, the hydrogenation of polycyclic aromatic hydrocarbons occurs even at 3.2 K.

Related Literature

Stereoselective polymerization of rac- and meso-lactide catalyzed by sterically encumbered N-heterocyclic carbenes

Andrew P. Dove, Hongbo Li, Russell C. Pratt, Bas G. G. Lohmeijer, Darcy A. Culkin, Robert M. Waymouth, James L. Hedrick

2006-06-06 Communication

DOI: 10.1039/B601393G

A mild and convenient synthesis of N-carbobenzyloxy ketimines

Jun-ichi Matsuo, Yumi Tanaki, Aimi Kido, Hiroyuki Ishibashi

2006-06-01 Communication

DOI: 10.1039/B605882E

Photoisomerization of the green fluorescence proteinchromophore and the meta- and para-amino analogues

Jye-Shane Yang, Guan-Jhih Huang, Yi-Hung Liu, Shie-Ming Peng

2008-01-18 Communication

DOI: 10.1039/B717714C

Direct evidence for an iron(iv)-oxo porphyrin π-cation radical as an active oxidant in catalytic oxygenation reactions

Ah-Rim Han, Yu Jin Jeong, Yaeun Kang, Jung Yoon Lee, Mi Sook Seo, Wonwoo Nam

2008-01-03 Communication

DOI: 10.1039/B716558G

How to achieve self-assembly in polar solvents based on specific interactions? Some general guidelines

Thomas Rehm, Carsten Schmuck

2007-11-29 Feature Article

DOI: 10.1039/B710951M

2,2′-Disubstituted F12binaphthyl derivatives: stannanes, boranes, and (R)-F12BINOL

Darryl J. Morrison, Susanne D. Riegel, Warren E. Piers, Masood Parvez, Robert McDonald

2006-06-19 Communication

DOI: 10.1039/B605716K

Molecular folding screen: folding and unfolding of 1,8-anthrylene–ethynylene oligomers by photochemical cycloaddition and thermal cycloreversion1

Shinji Toyota, Makoto Kuga, Akiko Takatsu, Michio Goichi, Tetsuo Iwanaga

2008-01-15 Communication

DOI: 10.1039/B717496A

Elusive AuF in the solid state as accessed via high pressure comproportionation‡

Dominik Kurzydłowski

2008-01-03 Communication

DOI: 10.1039/B716705A

Facile routes to Alkyl-BIAN ligands

Jennifer A. Moore, Kalyan Vasudevan, Nicholas J. Hill, Gregor Reeske, Alan H. Cowley

2006-06-05 Communication

DOI: 10.1039/B606390J

Evolved CYP102A1 (P450BM3) variants oxidise a range of non-natural substrates and offer new selectivity options

Christopher J. C. Whitehouse, Stephen G. Bell, Henry G. Tufton, Richard J. P. Kenny, Lydia C. I. Ogilvie, Luet-Lok Wong

2008-01-11 Communication

DOI: 10.1039/B718124H

You might also like

Compound Q&A

Are there alternatives to 1-(4-Chlorophenyl)-N-hydroxymethanimine (CAS: 3848-36-0) in synthesis?

When considering alternatives to 1-(4-Chlorophenyl)-N-hydroxymethanimine (CAS: 3...

3848-36-01-(4-Chlorophenyl)-N...
Compound Q&A

How is 3-(4-Bromophenyl)-5-(2-fluorophenyl)-1,2,4-oxadiazole (CAS: 419553-16-5) typically synthesized?

3-(4-Bromophenyl)-5-(2-fluorophenyl)-1,2,4-oxadiazole is synthesized through a m...

419553-16-53-(4-Bromophenyl)-5-...
Compound Q&A

How is 5-Chloro-2-(4-chlorophenyl)-4-methyl-6-[3-(1-piperidinyl)propoxy]pyrimidine (CAS: 1639220-19-1) typically synthesized?

5-Chloro-2-(4-chlorophenyl)-4-methyl-6-[3-(1-piperidinyl)propoxy]pyrimidine (CAS...

1639220-19-15-Chloro-2-(4-chloro...
Compound Q&A

What industries use 2-Chloro-4-(difluoromethoxy)pyridine (CAS: 1206978-15-5)?

2-Chloro-4-(difluoromethoxy)pyridine is used in the pharmaceutical industry for ...

1206978-15-52-Chloro-4-(difluoro...
Compound Q&A

What regulatory guidelines apply to 3-Chloro-6-methylpyridazine (CAS: 1121-79-5)?

3-Chloro-6-methylpyridazine (CAS: 1121-79-5) is classified under the Globally Ha...

1121-79-53-Chloro-6-methylpyr...
Compound Q&A

Are there alternatives to Methyl 4,5-dimethyl-2-nitrobenzoate in synthesis?

Several alternatives can be used in the synthesis of Methyl 4,5-dimethyl-2-nitro...

90922-74-0Methyl 4,5-dimethyl-...
Compound Q&A

Are there alternatives to (2E,2'E)-3,3'-(1,4-Phenylene)bisacrylaldehyde in synthesis?

Alternatives to (2E,2'E)-3,3'-(1,4-Phenylene)bisacrylaldehyde include other acry...

63405-68-5(2E,2'E)-3,3'-(1,4-P...
Compound Q&A

What is 3-Amino-5-chloropyridin-2-ol hydrochloride (CAS: 1261906-29-9)?

3-Amino-5-chloropyridin-2-ol hydrochloride is an organic compound with the CAS n...

1261906-29-93-Amino-5-chloropyri...
Compound Q&A

What precautions should be taken when handling 6,7-Difluoro-2,3-dihydro-4H-chromen-4-one (CAS: 1092349-93-3)?

When handling 6,7-Difluoro-2,3-dihydro-4H-chromen-4-one, it is essential to wear...

1092349-93-36,7-Difluoro-2,3-dih...

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.