Small Organic Molecule Based on Benzothiadiazole for Electrocatalytic Hydrogen Production

A small organic molecule 2,1,3-benzothiadiazole-4, 7-dicarbonitrile (BTDN) is assessed for electrocatalytic hydrogen, showing a hydrogen production faradaic efficiency of 82% in presence of salicylic acid. The key catalytic intermediates of reduced species BTDN−• and protonated intermediates are identified and characterized by using various spectroscopic methods and density functional theory (DFT) based calculations. With the experimental and theoretical results, a catalytic mechanism of BTDN for electrocatalytic H2 evolution is proposed.

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A Small Organic Catalyst Based on Benzothiadiazole for Electrocatalytic Hydrogen Production

10.26434/chemrxiv.14216318 ◽

2021 ◽

Author(s):

Martin Axelsson ◽

Cleber F. N. Marchiori ◽

Ping Huang ◽

C. Moyses Araujo ◽

Haining Tian

Keyword(s):

Density Functional Theory ◽

Salicylic Acid ◽

Hydrogen Production ◽

Density Functional ◽

Organic Molecule ◽

Spectroscopic Methods ◽

Functional Theory ◽

Faradaic Efficiency ◽

Small Organic Molecule ◽

Organic Catalyst

A small organic molecule 2,1,3-benzothiadiazole-4, 7-dicarbonitrile (BTDN) has been tested as electrocatalyst for hydrogen production. The catalyst shows a hydrogen production faradaic efficiency of 82% in presence of salicylic acid. Some of reaction mediators are identified and characterized by using various spectroscopic methods and density functional theory (DFT) based calculations.

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A Small Organic Catalyst Based on Benzothiadiazole for Electrocatalytic Hydrogen Production

10.26434/chemrxiv.14216318.v1 ◽

2021 ◽

Author(s):

Martin Axelsson ◽

Cleber F. N. Marchiori ◽

Ping Huang ◽

C. Moyses Araujo ◽

Haining Tian

Keyword(s):

Density Functional Theory ◽

Salicylic Acid ◽

Hydrogen Production ◽

Density Functional ◽

Organic Molecule ◽

Spectroscopic Methods ◽

Functional Theory ◽

Faradaic Efficiency ◽

Small Organic Molecule ◽

Organic Catalyst

A small organic molecule 2,1,3-benzothiadiazole-4, 7-dicarbonitrile (BTDN) has been tested as electrocatalyst for hydrogen production. The catalyst shows a hydrogen production faradaic efficiency of 82% in presence of salicylic acid. Some of reaction mediators are identified and characterized by using various spectroscopic methods and density functional theory (DFT) based calculations.

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Plausibly Deniable Chemical Encryption: Hiding a Molecule in a Haystack

10.26434/chemrxiv.12901766 ◽

2020 ◽

Author(s):

Wojciech Nogaś

Keyword(s):

Chemical Analysis ◽

Organic Molecule ◽

Encryption Algorithm ◽

Proof Of Concept ◽

Small Organic Molecule ◽

The Cost

We propose an outline of plausibly deniable chemical encryption algorithm, a technique aimed at increasing the cost of a small organic molecule identification in a sample by means of chemical analysis through mixing it with a rationally designed randomized mixture of analytical interferents, in a remote analogy to other domains of cryptography. The algorithm is then applied in a proof-of-concept demonstration example.

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Ultraviolet-activated long-lived room-temperature phosphorescence from small organic molecule-doped polymer systems

Science China Materials ◽

10.1007/s40843-021-1768-6 ◽

2021 ◽

Author(s):

Zhonghao Wang ◽

Yan Zheng ◽

Yan Su ◽

Liang Gao ◽

Yinyin Zhu ◽

...

Keyword(s):

Organic Molecule ◽

Room Temperature ◽

Room Temperature Phosphorescence ◽

Polymer Systems ◽

Small Organic Molecule ◽

Doped Polymer

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Dissolution-enhanced emission of 1,3,6,8-Tetrakis(p-benzoic acid)pyrene for selectively detecting protamine and “on-to-on” heparin detection in water

New Journal of Chemistry ◽

10.1039/d1nj03946f ◽

2021 ◽

Author(s):

Hongtao Li ◽

Yuting Zhang ◽

Yan Huang ◽

Dapeng Cao ◽

Shitao Wang

Keyword(s):

Detection Limit ◽

Benzoic Acid ◽

Organic Molecule ◽

Basic Protein ◽

Fluorescence Probe ◽

Small Organic Molecule ◽

Turn On ◽

Low Detection Limit

We developed a small organic molecule, the 1,3,6,8-Tetrakis(pbenzoic acid)pyrene (TBAPy) as a facile turn-on fluorescence probe for selectively detecting the basic protein protamine in water with a low detection limit...

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Small Organic Molecule Catalyzed Epoxide Ring Opening

Water in Organic Synthesis ◽

10.1055/sos-sd-206-00424 ◽

2012 ◽

pp. 1

Author(s):

C. Ogawa ◽

S. Kobayashi

Keyword(s):

Ring Opening ◽

Organic Molecule ◽

Epoxide Ring ◽

Epoxide Ring Opening ◽

Small Organic Molecule

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Planar D-π-A Configured Dimethoxy Vinylbenzene Based Small Organic Molecule for Solution-Processed Bulk Heterojunction Organic Solar Cells

Applied Sciences ◽

10.3390/app10175743 ◽

2020 ◽

Vol 10 (17) ◽

pp. 5743

Author(s):

Shabaz Alam ◽

M. Shaheer Akhtar ◽

Abdullah ◽

Eun-Bi Kim ◽

Hyung-Shik Shin ◽

...

Keyword(s):

Solar Cells ◽

Band Gap ◽

Power Conversion Efficiency ◽

Organic Solar Cells ◽

Organic Molecule ◽

Bulk Heterojunction ◽

Power Conversion ◽

Solution Processed ◽

Small Organic Molecule ◽

Donor Material

A new and effective planar D-π-A configured small organic molecule (SOM) of 2-5-(3,5-dimethoxystyryl)thiophen-2-yl)methylene)-1H-indene-1,3(2H)-dione, abbreviated as DVB-T-ID, was synthesized using 1,3-indanedione acceptor and dimethoxy vinylbenzene donor units, connected through a thiophene π-spacer. The presence of a dimethoxy vinylbenzene unit and π-spacer in DVB-T-ID significantly improved the absorption behavior by displaying maximum absorbance at ~515 nm, and the reasonable band gap was estimated as ~2.06 eV. The electronic properties revealed that DVB-T-ID SOMs exhibited promising HOMO (−5.32 eV) and LUMO (−3.26 eV). The synthesized DVB-T-ID SOM was utilized as donor material for fabricating solution-processed bulk heterojunction organic solar cells (BHJ-OSCs) and showed a reasonable power conversion efficiency (PCE) of ~3.1% with DVB-T-ID:PC61BM (1:2, w/w) active layer. The outcome of this work clearly reflects that synthesized DVB-T-ID based on 1,3-indanedione units is a promising absorber (donor) material for BHJ-OSCs.

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