Control of the deprotonation of terephthalic acid assemblies on Ag(111) studied by DFT calculations and low temperature scanning tunneling microscopy
文献情報
This paper deals with the investigations of terephthalic acid (TPA) molecules deposited on a low reactive Ag(111) surface and studied using scanning tunneling microscopy (STM) at low temperature and DFT calculations. These investigations show that two deprotonation states energetically equivalent can be produced at the single molecule level. On self assemblies, the mobility of H atoms at 77 K favours the motion of created defects in the layer. STM observations and DFT calculations show that the most stable structures are obtained when only one hydrogen atom is removed from an O–H⋯O bond and when these deprotonated molecules are located in adjacent TPA rows.
関連文献
Remarkable improvement of epoxide ring-opening reaction efficiency and selectivity with water as a green regulator
Zifei Yan, Chencan Du, Guangsheng Luo, Jian Deng
DOI: 10.1039/D1RE00277E
Sequential double click reactions: a highly efficient post-functionalization method for optoelectronic polymers‡
Yongrong Li
DOI: 10.1039/B9PY00238C
Proton conducting membranes for hydrogen and ammonia production
Guowei Weng, Kun Ouyang, Xuanhe Lin, Jian Xue, Haihui Wang
DOI: 10.1039/D1RE00207D
Controlled room temperature ROP of L-lactide by ICl3: a simple halogen-bonding catalyst
Olivier Coulembier, Franck Meyer, Philippe Dubois
DOI: 10.1039/C0PY00013B
Tuning the selectivity of CO2 hydrogenation using ceramic hollow fiber catalytic modules
Prachiti R. Bedadur, Arun Torris
DOI: 10.1039/D1RE00076D
Renewable dimethyl carbonate for tertiary amine quaternisation: kinetic measurements and process optimisation
Roel J. T. Kleijwegt, Vera C. Henricks, Wyatt Winkenwerder, Wim Baan, John van der Schaaf
DOI: 10.1039/D1RE00191D
The impact of NOx addition on the ignition behaviour of n-pentane
Mark E. Fuller, Philipp Morsch, Matthias Preußker, C. Franklin Goldsmith, K. Alexander Heufer
DOI: 10.1039/D1RE00055A
こちらもおすすめ
2,3-スチオエポキシマドルを取り扱う際の実験室安全事項は何ですか?
取り扱いにはPPE(プロテクティブ・パーソナル・エイド)が必要で、防ぐ手袋と保護眼鏡を着用してください。ドラフトチャンバーの使用を推奨します。漏洩した場合は、適...
BOC-S-3-アミニ-4-(4-メチオキシベンチル)-ブタン酸の代替品はありますか?
この化合物の代替品としては、BOC保護基を有さないアミノ酸やその他の保護基化合物が考えられます。また、メチオキシ基を有しない他の芳香族アミノ酸も代替品として挙げ...
Methyl 2-(chloromethyl)-3-nitrobenzoate(1218910-61-2)の代替品はありますか?
Methyl 2-(chloromethyl)-3-nitrobenzoate(1218910-61-2)の代替品としては、化学組成を変えることで効果を達成する...
(2R)-2-アミノ-N-ベンジル-3-ヒドロキシプロパナミドを含む廃棄物はどのように処理すべきですか?
(2R)-2-アミノ-N-ベンジル-3-ヒドロキシプロパナミドを含む廃棄物は、適切な廃棄物管理ガイドラインに基づき処理する必要があります。まず、廃棄物を適切に収...
6,7-二氢-咪唑並[1,2-a]ピリドイン-8(5h)-酮はどのように合成されますか?
6,7-二氢-咪唑並[1,2-a]ピリドイン-8(5h)-酮は、2-ブロモフェニルアセトインとリン酸ハロゲン化物を反応させることで合成できます。この反応は高温で...
エチル(3R)-3-ピロリジニル酢酸水和塩とは何ですか?
エチル(3R)-3-ピロリジニル酢酸水和塩は、CAS番号1332459-32-1の化合物で、(R)-乙基2-(ピロリジン-3-基)酢酸塩水和塩と呼ばれます。この...
(2S)-{[(2-メチルエチルオキシ]カルボニル}アミノ)[2-(トリアフルオロメチルフェニル]エチカシック酸の物理化学的性質は何ですか?
(2S)-{[(2-メチルエチルオキシ]カルボニル}アミノ)[2-(トリアフルオロメチルフェニル]エチカシック酸のCAS番号は1203454-45-8です。この...
2-ブロモ-1-(2-メチル-2-プロパニル)-4-ニトロベンゼンはどのように保存すればよいですか?
2-ブロモ-1-(2-メチル-2-プロパニル)-4-ニトロベンゼンは、直射日光を避けて暗所で、室温(約15℃〜25℃)、乾燥した場所に保存する必要があります。ま...
1-[(4-硝基フェニル)スルホニル]-1H-1,2,4-三唑の市場動向や研究トレンドはどうですか?
市場動向としては、1-[(4-硝基フェニル)スルホニル]-1H-1,2,4-三唑は主に農業用除草剤や合成化学製品の原料として利用されています。研究トレンドとして...
掲載誌
Physical Chemistry Chemical Physics

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.












![(1R,5R)-3-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-azabicyclo[3.1.0]hexane-1-carboxylic acid structure (1R,5R)-3-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-azabicyclo[3.1.0]hexane-1-carboxylic acid structure](https://static.chemtradehub.com/structs/116/1165450-63-4-bfe1.webp)

![8-Bromo-6-fluoro[1,2,4]triazolo[1,5-a]pyridin-2-amine structure 8-Bromo-6-fluoro[1,2,4]triazolo[1,5-a]pyridin-2-amine structure](https://static.chemtradehub.com/structs/125/1257705-51-3-9f4a.webp)