The influence of nanoparticles on the polarizabilities and hyperpolarizabilities of photochromic molecules

Literature Information

Publication Date 2018-08-20
DOI 10.1039/C8CP03645D
Impact Factor 3.676
Authors


View Original

Abstract

We consider how nanoparticles affect molecular photoswitches and our focus is on how the polarizabilities and hyperpolarizabilities of the dihydroazulene/vinylheptafulvene system changes, when the compounds interact with gold nanoparticles. We have utilized a combined quantum mechanical/molecular mechanical approach, where the photochromic molecule is described by time-dependent density functional theory using the long-range-corrected CAM-B3LYP functional and the correlation consistent aug-cc-pVDZ basis-set. The nanoparticles are described by gold atoms having an atomic polarizability. The calculations showed that the polarizabilities of the photochromic molecules are affected by the gold nanoparticles, but the hyperpolarizabilities change significantly as the interactions between the nanoparticles and the photochromic molecules are increased.

Related Literature

Blocking recombination centers by controlling the charge density of a sulfur vacancy in antimony trisulfide

Xiao Han, Qi Zhao, Xiaodan Yan, Ting Meng, Jinlu He

2023-11-15 Paper

DOI: 10.1039/D3CP05217F

Removal of nitrate by FeSiBC metallic glasses: high efficiency and superior reusability

Jia-Ben Song, Yun-Hao Zhang, Yu-Feng Li, Jia-Cheng Zhang, Xu Liang, Zhen-Dong Sha

2023-11-14 Paper

DOI: 10.1039/D3CP04280D

Styrylpyrimidine chromophores with bulky electron-donating substituents: experimental and theoretical investigation

Maxime Hodée, Julien Massue, Sylvain Achelle, Arnaud Fihey, Gilles Ulrich, Françoise Robin-le Guen, Claudine Katan

2023-11-15 Paper

DOI: 10.1039/D3CP03705C

Diary of conferences and courses

News

DOI: 10.1039/B110277J

Enhancement of wide-band trace terahertz absorption spectroscopy based on microstructures: a review

Jining Li, Wenxin Lu

2023-11-09 Review Article

DOI: 10.1039/D3CP04746F

Diary of conferences and courses

News

DOI: 10.1039/B203432H

Book and software reviews on the Web

News

DOI: 10.1039/B204785N

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.