Thermal equilibration between excited states or solvent effects: unveiling the origins of anomalous emissions in heteroleptic Ru(ii) complexes

Literature Information

Publication Date 2018-04-04
DOI 10.1039/C8CP01101J
Impact Factor 3.676
Authors

Denis Jacquemin, Daniel Escudero


View Original

Abstract

In this manuscript we present a computational study on the photoluminescence properties of several heteroleptic [Ru(H)(CO)(N^N)(tpp)2]+ complexes (tpp = triphenylphosphine). A special focus is set on disentangling the temperature-dependent emissive properties. Experimentally, when cooling a solution of [Ru(H)(CO)(dmphen)(tpp)2]+ (dmphen = 5,6-dimethyl-1,10-phenanthroline) from room to cryogenic temperature, a partial emission switch from metal-to-ligand charge transfer (3MLCT) to ligand-centered (3LC) phosphorescence is observed, resulting in dual photoluminescence. Two different origins of the anomalous emissions are possible, i.e., thermal equilibration between electronically excited states or different excited state solvent relaxation effects. Our calculations are in favor of the thermally equilibrated scenario. This computational investigation highlights the importance of controlling the temperature-dependent emissive behavior for optoelectronic applications.

Related Literature

Front cover

Cover

DOI: 10.1039/C8OB90146E

Four novel sesquiterpenoids with their anti-Alzheimer's disease activity from Nardostachys chinensis

Pei-Qian Wu, Yi-Fan Yu, Ye Zhao, Chun-Xue Yu, De-Juan Zhi, Feng-Ming Qi

2018-11-07 Paper

DOI: 10.1039/C8OB02319K

A red-emitting fluorescent probe for the detection of Hg2+ in aqueous medium, living cells and organisms with a large Stokes shift

Lei Yang, Yuanan Su, Yani Geng, Haiqing Xiong, Jinliang Han, Qian Fang, Xiangzhi Song

2018-06-20 Paper

DOI: 10.1039/C8OB00831K

Tandem radical cyclization of N-methacryloyl benzamides with CBr4 to construct brominated isoquinolinediones

Songhai Huang, Pengfei Niu, Yingpeng Su, Dongcheng Hu, Congde Huo

2018-10-02 Paper

DOI: 10.1039/C8OB01964A

Tripodal cyanurates as selective transmembrane Cl− transporters

Debashis Mondal, Anjana Sathyan, Sopan V. Shinde, Kamal K. Mishra, Pinaki Talukdar

2018-10-22 Communication

DOI: 10.1039/C8OB01345D

Asymmetric total synthesis of naturally occurring spirocyclic tetranorsesquiterpenoid lanceolactone A

Ranjan Kumar Acharyya, Samik Nanda

2018-06-22 Paper

DOI: 10.1039/C8OB01328D

Porphyrin–ferrocene conjugates for photodynamic and chemodynamic therapy

Xiaoyu Zhang, Shi Liu, Zhigang Xie

2018-10-25 Paper

DOI: 10.1039/C8OB02391C

An experimental and computational study on isomerically pure, soluble azaphthalocyanines and their complexes and boron azasubphthalocyanines of a varying number of aza units

Martin Liebold, Eugen Sharikow, Elisabeth Seikel, Lukas Trombach, Klaus Harms, Petr Zimcik, Veronika Novakova, Ralf Tonner, Jörg Sundermeyer

2018-08-20 Paper

DOI: 10.1039/C8OB01705K

Unveiling sequential late-stage methyltransferase reactions in the meleagrin/oxaline biosynthetic pathway

Sean A. Newmister, Stelamar Romminger, Jennifer J. Schmidt, Roberto G. S. Berlinck

2018-08-15 Paper

DOI: 10.1039/C8OB01565A

You might also like

155412-88-71-(3-Aminophenyl)-3-...
Compound Q&A

How should waste containing 1-(D-Ribofuranosyl)-1,4-dihydro-3-pyridinecarboxamide (CAS: 19132-12-8) be handled?

Waste containing 1-(D-Ribofuranosyl)-1,4-dihydro-3-pyridinecarboxamide (CAS: 191...

19132-12-81-(D-Ribofuranosyl)-...
Compound Q&A

What regulatory guidelines apply to 2-Methyl-2-propanyl 3-bromo-3-(hydroxymethyl)-1-azetidinecarboxylate (CAS: 2007919-81-3)?

2-Methyl-2-propanyl 3-bromo-3-(hydroxymethyl)-1-azetidinecarboxylate (CAS: 20079...

2007919-81-32-Methyl-2-propanyl ...
Compound Q&A

What is N-(4-Chloro-2-pyridinyl)acetamide (CAS: 245056-66-0)?

N-(4-Chloro-2-pyridinyl)acetamide (CAS: 245056-66-0) is a chemical compound with...

245056-66-0N-(4-Chloro-2-pyridi...
Compound Q&A

What is 5-Chloro-2-hydroxybenzoic acid (CAS: 321-14-2)?

5-Chloro-2-hydroxybenzoic acid, also known as 5-chlorosalicylic acid, is an arom...

321-14-25-Chloro-2-hydroxybe...
Compound Q&A

What precautions should be taken when handling 1,1-Dichloro-1-fluoroethane (CAS: 1717-00-6)?

When handling 1,1-Dichloro-1-fluoroethane (CAS: 1717-00-6), it is important to u...

1717-00-61,1-Dichloro-1-fluor...
Compound Q&A

What are the physical and chemical properties of Fmoc-(2S,3R)-3-phenylpyrrolidine-2-carboxylic acid (CAS: 281655-32-1)?

Fmoc-(2S,3R)-3-phenylpyrrolidine-2-carboxylic acid is a white crystalline solid ...

281655-32-1Fmoc-(2S,3R)-3-pheny...
Compound Q&A

What are the main uses of 4-Amino-5-bromo-2-pyridinecarboxylic acid (CAS: 1363381-01-4)?

4-Amino-5-bromo-2-pyridinecarboxylic acid is primarily used as a precursor in th...

1363381-01-44-Amino-5-bromo-2-py...
1007881-98-2(S)-tert-butyl 2-((2...
Compound Q&A

What precautions should be taken when handling 8-bromo-2,2-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-3-one (CAS: 688363-73-7)?

When handling 8-bromo-2,2-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-3-one, use prop...

688363-73-78-bromo-2,2-dimethyl...

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.