The influence of the relative position of the thiophene and pyrrole rings in donor–acceptor thienylpyrrolyl-benzothiazole derivatives. A photophysical and theoretical investigation

Literature Information

Publication Date 2010-06-14
DOI 10.1039/C002434A
Impact Factor 3.676
Authors

João Pina, J. Sérgio Seixas de Melo, Rosa M. F. Batista, Susana P. G. Costa, M. Manuela M. Raposo


View Original

Abstract

A detailed spectroscopic and photophysical study has been carried out on a series of heterocyclic compounds—known to display nonlinear optical properties—consisting on a electron donating thienylpyrrolyl π-conjugated system functionalized with an electron acceptor benzothiazole moiety. The absorption, emission and triplet–triplet absorption together with all relevant quantum yields (fluorescence, intersystem crossing and internal conversion), excited state lifetimes and the overall set of deactivation rate constants (kF, kIC and kISC) were obtained in solution at room (293 K) and low (77 K) temperature. The optimized ground-state molecular geometries for the compounds together with the prediction of the lowest vertical one-electron excitation energy and the relevant molecular orbital contours for the compounds were also determined using density functional theory (DFT) at the B3LYP/3-21G* level. The experimental results showed that the photophysical properties are influenced by the relative position of the pyrrole and thiophene relative to the benzothiazole group.

Related Literature

Contents

Front/Back Matter

DOI: 10.1039/B510673G

Lower rim mono-functionalization of resorcinarenes

Frank Hauke, Andrew J. Myles, Julius Rebek Jr.

2005-07-25 Communication

DOI: 10.1039/B506048F

Layer-by-layer assembly of charged poly(phenylacetylene)s with induced macromolecular helicity

Katsuhiro Maeda, Yasuaki Matsushita, Muneyoshi Ezaka

2005-07-26 Communication

DOI: 10.1039/B507863F

Dendritic supramolecular assemblies for drug delivery

Meredith T. Morgan, Michael A. Carnahan, Stella Finkelstein, Carla A. H. Prata, Lovorka Degoricija, Stephen J. Lee, Mark W. Grinstaff

2005-07-14 Communication

DOI: 10.1039/B502411K

Back matter

Front/Back Matter

DOI: 10.1039/B511386P

Immobilization of ionic liquid with polyelectrolyte as carrier

Yanfei Shen, Yuanjian Zhang, Qixian Zhang, Tianyan You, Ari Ivaska

2005-07-20 Communication

DOI: 10.1039/B507688A

The synthesis of enantiomerically pure 4-substituted [2.2]paracyclophane derivatives by sulfoxide–metal exchange

Peter B. Hitchcock, Gareth J. Rowlands, Rakesh Parmar

2005-07-25 Communication

DOI: 10.1039/B507394D

A simple synthesis of mesoporous carbons with tunable mesopores using a colloidal template-mediated vapor deposition polymerization

Jyongsik Jang, Byungkwon Lim, Moonjung Choi

2005-07-22 Communication

DOI: 10.1039/B506265A

Mechanistic subtleties in the cyclopentannelation of allenolate allyl carbamates: the origin of the center-to-center chirality transfer

Olalla Nieto Faza, Carlos Silva López, Rosana Álvarez, Ángel R. de Lera

2005-07-27 Communication

DOI: 10.1039/B506601H

Total synthesis of buergerinin F via effective construction of the asymmetric quaternary carbons using an enantioselective aldol reaction

Isamu Shiina, Yo-ichi Kawakita, Ryoutarou Ibuka, Kazutoshi Yokoyama, Yu-suke Yamai

2005-07-14 Communication

DOI: 10.1039/B507401K

You might also like

Compound Q&A

How should waste containing N-Methoxy-N-methyl-1,3-thiazole-5-carboxamide (CAS: 898825-89-3) be handled?

Waste containing N-Methoxy-N-methyl-1,3-thiazole-5-carboxamide (CAS: 898825-89-3...

898825-89-3N-Methoxy-N-methyl-1...
Compound Q&A

How should N-(4-Biphenylyl)dibenzo[b,d]furan-4-amine (CAS: 1318338-47-4) be stored?

N-(4-Biphenylyl)dibenzo[b,d]furan-4-amine should be stored in a tightly sealed c...

1318338-47-4N-(4-Biphenylyl)dibe...
Compound Q&A

What is the market or research trend for 3-Acetamido-5-amino-2,4,6-triiodobenzoic acid (CAS: 1713-07-1)?

The market for 3-Acetamido-5-amino-2,4,6-triiodobenzoic acid (CAS: 1713-07-1) is...

1713-07-13-Acetamido-5-amino-...
Compound Q&A

How should Benzyl 2-O-acetyl-3,4,6-tri-O-benzyl-beta-D-galactopyranoside (CAS: 61820-03-9) be stored?

Benzyl 2-O-acetyl-3,4,6-tri-O-benzyl-beta-D-galactopyranoside (CAS: 61820-03-9) ...

61820-03-9Benzyl 2-O-acetyl-3,...
Compound Q&A

What regulatory guidelines apply to 2-Ethylpiperazine dihydrochloride (CAS: 438050-52-3)?

2-Ethylpiperazine dihydrochloride (CAS: 438050-52-3) is regulated under the Glob...

438050-52-32-Ethylpiperazine di...
Compound Q&A

What regulatory guidelines apply to 1,1'-[1,3-Phenylenebis(methylene)]bis(3-methyl-1H-pyrrole-2,5-dione) (CAS: 119462-56-5)?

1,1'-[1,3-Phenylenebis(methylene)]bis(3-methyl-1H-pyrrole-2,5-dione) (CAS: 11946...

119462-56-51,1'-[1,3-Phenyleneb...
Compound Q&A

Are there alternatives to 5-Fluoro-2-(1-pyrrolidinyl)pyridine (CAS: 1287217-79-1) in synthesis?

Several alternatives can be used in the synthesis of 5-Fluoro-2-(1-pyrrolidinyl)...

1287217-79-15-Fluoro-2-(1-pyrrol...
Compound Q&A

What precautions should be taken when handling 6-Bromoimidazo[1,2-a]pyridin-8-amine (CAS: 676371-00-9)?

When handling 6-Bromoimidazo[1,2-a]pyridin-8-amine, it is important to wear appr...

676371-00-96-Bromoimidazo[1,2-a...
Compound Q&A

Are there alternatives to (2S,4R)-4-(4-Nitrobenzyl)pyrrolidine-2-carboxylic acid hydrochloride (CAS: 1049740-22-8) in synthesis?

Alternatives to (2S,4R)-4-(4-Nitrobenzyl)pyrrolidine-2-carboxylic acid hydrochlo...

1049740-22-8(2S,4R)-4-(4-Nitrobe...

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 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.