Laser induced, dispersed fluorescence spectroscopy, and ab initio calculations of p-cyanophenol

Literature Information

Publication Date 2001-04-23
DOI 10.1039/B100883H
Impact Factor 3.676
Authors

Wolfgang Roth, Petra Imhof, Karl Kleinermanns


View Original

Abstract

The electronic origin of p-cyanophenol has been assigned to the strongest transition in the jet cooled vibronic spectrum at 35547.5 cm−1. Vibrations of the electronic ground state have been measured by means of dispersed fluorescence and those of the first electronically excited state by laser induced fluorescence. An assignment of the S0 state vibrations is presented based upon ab initio calculations at the MP2 and DFT level of theory. Additional CASSCF calculations are presented for both electronic states. The vibronic activity of several low frequency modes points towards a substantial change in geometry of the cyano group upon excitation.

Related Literature

In vivo studies of a platinum(ii) metallointercalator

Dianne M. Fisher, Ronald R. Fenton, Janice R. Aldrich-Wright

2008-09-26 Communication

DOI: 10.1039/B811723C

Snowman-like silver alkynyl cluster consolidated by templating chloride and peripheral trifluoroacetates

Shu-Dan Bian, Quan-Ming Wang

2008-09-25 Communication

DOI: 10.1039/B812451E

Facile preparation of low cytotoxicity fluorescent carbon nanocrystals by electrooxidation of graphite

Qiao-Ling Zhao, Zhi-Ling Zhang, Bi-Hai Huang, Jun Peng, Min Zhang, Dai-Wen Pang

2008-09-24 Communication

DOI: 10.1039/B812420E

Synthesis, characterization and oxidizing properties of a diorgano tellurone carrying bulky aromatic substituents

Makoto Oba, Yasunori Okada, Kozaburo Nishiyama, Shigeru Shimada, Wataru Ando

2008-09-17 Communication

DOI: 10.1039/B811112J

Complete oxidation of acetaldehyde and toluene over a Pd/WO3 photocatalyst under fluorescent- or visible-light irradiation

Takeo Arai, Masatoshi Yanagida, Hideki Sugihara, Kazuhiro Sayama

2008-09-26 Communication

DOI: 10.1039/B811657A

Synthesis of 3-hydroxy-1-alkenylboronates viaphosphine stabilized borylzirconacyclopropenes‡

Alina Botvinik, Abraham Rubinstein, Morris Srebnik

2008-09-29 Communication

DOI: 10.1039/B811287H

1-Azadienes in cycloaddition and multicomponent reactions towards N-heterocycles

Bas Groenendaal, Eelco Ruijter, Romano V. A. Orru

2008-09-08 Feature Article

DOI: 10.1039/B809206K

Coordination networks derived from germanium(ii) thioether macrocyclic complexes—the first authenticated chalcogenoether complexes of Ge(ii)

Fei Cheng, Andrew L. Hector, William Levason, Gillian Reid, Michael Webster, Wenjian Zhang

2008-09-22 Communication

DOI: 10.1039/B809444F

Unprecedented steric deformation of ortho-carborane

Brian W. Hutton, Fraser MacIntosh, David Ellis, Fabien Herisse, Stuart A. Macgregor, David McKay, Victoria Petrie-Armstrong, Georgina M. Rosair, Dmitry S. Perekalin, Hugo Tricas, Alan J. Welch

2008-09-19 Communication

DOI: 10.1039/B810702E

You might also like

Compound Q&A

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...

141290-59-71H-Indazole-6-carbon...
Compound Q&A

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...

2997-85-5Dioctyl (2E)-2-buten...
Compound Q&A

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...

68291-98-5Sodium [(1,2-benzoxa...
Compound Q&A

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...

741709-66-0Dimethyl 4-(4,4,5,5-...
Compound Q&A

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...

80714-39-22-Fluoro-6-hydrazino...
Compound Q&A

What is 6-Formyl-2-pyridinecarboxylic acid (CAS: 499214-11-8)?

6-Formyl-2-pyridinecarboxylic acid is an organic compound with the molecular for...

499214-11-86-Formyl-2-pyridinec...
900874-91-13-(3,4-dimethoxyphen...
Compound Q&A

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...

29875-73-89H-Tribenzo[b,d,f]az...
Compound Q&A

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...

1797982-51-41-Cyclopropyl-7-etho...
Compound Q&A

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: ...

671820-52-3Methyl 3-oxo-1,2,3,4...

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.