Dissecting the cation–cation interaction between two uranyl units
文献情報
Paweł Tecmer, Sung W. Hong, Katharina Boguslawski
We present a state-of-the-art computational study of the uranyl(VI) and uranyl(V) cation–cation interactions (dications) in aqueous solution. Reliable electronic structures of two interacting uranyl(VI) and uranyl(V) subunits as well as those of the uranyl(VI) and uranyl(V) clusters are presented for the first time. Our theoretical study elucidates the impact of cation–cation interactions on changes in the molecular structure as well as changes in vibrational and UV-Vis spectra of the bare uranyl(VI) and uranyl(V) moieties for different total spin-states and total charges of the dications.
おすすめジャーナル

Photochemical & Photobiological Sciences

Faraday Discussions

Nature Reviews Drug Discovery

Environmental Toxicology and Pharmacology

Angewandte Chemie International Edition

Advanced Engineering Materials

Current Pharmaceutical Biotechnology

European Journal of Organic Chemistry

Physical Chemistry Chemical Physics

Contact Lens & Anterior Eye
関連文献
Block, random and palm-tree amphiphilic fluorinated copolymers: controlled synthesis, surface activity and use as dispersion polymerization stabilizers
David Alaimo, Alexandre Beigbeder, Philippe Dubois, Guy Broze, Christine Jérôme, Bruno Grignard
DOI: 10.1039/C4PY00366G
Visible-light-induced living radical polymerization using in situ bromine-iodine transformation as an internal boost
Xiaodong Liu, Qinghua Xu, Lifen Zhang, Zhenping Cheng, Xiulin Zhu
DOI: 10.1039/C7PY00366H
Deep eutectic solvents for green and efficient iron-mediated ligand-free atom transfer radical polymerization
Jirong Wang, Jianyu Han, Mohd Yusuf Khan, Dan He, Haiyan Peng, Dianyu Chen, Xiaolin Xie, Zhigang Xue
DOI: 10.1039/C6PY02066F
Rational design of soluble and clickable polymers prepared by conventional free radical polymerization of acetylene-functionalized acrylate
Yu Liu, Xiaochuan Shui, Meng Wang, Chenguang Zhang, Yuechuan Wang
DOI: 10.1039/C6PY02104B
Reverse micelles based on β-cyclodextrin-incorporated amphiphilic polyurethane copolymers for protein delivery
Xiaoxu Du, Nan Song, Ying-Wei Yang, Guolin Wu, Jianbiao Ma, Hui Gao
DOI: 10.1039/C4PY00278D
Control over the assembly and rheology of supramolecular networks via multi-responsive double hydrophilic copolymers
Jérémy Brassinne, Charles-André Fustin, Jean-François Gohy
DOI: 10.1039/C6PY02143C
Factors affecting bottlebrush polymer synthesis by the transfer-to method using reversible addition–fragmentation chain transfer (RAFT) polymerization
Scott C. Radzinski, Jeffrey C. Foster, Sally E. Lewis, Eric V. French, John B. Matson
DOI: 10.1039/C6PY01982J
The para-fluoro-thiol ligation in water
Parvesh Wadhwani, Rouven Müller
DOI: 10.1039/C6PY02108E
Synthesis of cardo-polymers using Tröger's base formation
Mariolino Carta, Matthew Croad, Johannes C. Jansen, Paola Bernardo, Gabriele Clarizia, Neil B. McKeown
DOI: 10.1039/C4PY00607K
High solids content nitroxide mediated miniemulsion polymerization of n-butyl methacrylate
Nicholas Ballard, Miren Aguirre, Alexandre Simula, Jose R. Leiza, José M. Asua
DOI: 10.1039/C7PY00067G
こちらもおすすめ
5-苄基四氢吡咯并[3,4-c]吡咯-1,3[2H,3ah]-二酮の主な用途は何ですか?
5-苄基四氢吡咯并[3,4-c]吡咯-1,3[2H,3ah]-二酮は、主に薬理学的研究と合成化学に使用されます。また、特定の医薬品の合成原材料としても利用されま...
唾液酸路易ス Aを取り扱う際の実験室安全事項は何ですか?
唾液酸路易ス Aの取り扱いでは、個別の防護具(PPE)が必要で、手袋、顔面保護具、防塵マスクを着用します。ドラフトチャンバーを使用し、漏洩時の適切な処理を行うこ...
タルトブチル ((1-(2-クロロアセチル)ピペリジン-4-イルメチル)カーバamatはどの業界で使用されていますか?
タルトブチル ((1-(2-クロロアセチル)ピペリジン-4-イルメチル)カーバamatは、医薬品業界、ポリマー業界、センサー技術、半導体業界などで使用されていま...
3-烯丙基-2-羟基苯甲醛の物理化学的性質は何ですか?
3-烯丙基-2-羟基苯甲醛のCAS番号は24019-66-7です。物化性質としては、白色結晶性粉末で、分子量は174.22です。この化合物は水に溶けやすく、反応...
乳清酸 Potassium Orotateとは何ですか?
乳清酸 Potassium Orotateは、CAS番号24598-73-0の化合物で、乳清酸と Potassium(カリウム)による塩基です。化学式はC7H7...
4-甲基苯磺酸异丙酯はどの業界で使用されていますか?
4-甲基苯磺酸异丙酯は医薬品業界で広く使用されています。また、ポリマーの増塑剤や半導体製造におけるセンサー材料としても使用されることがあります。
6-(3- Florobenzen)-N-[1-(2,2,2- Trifluoroethyl)-4-Piperidinyl]-3-Pyridinycarboxamideはどの業界で使用されていますか?
6-(3-氟苯基)-N-[1-(2,2,2-三氟乙基)-4-哌啶基]-3-吡啶羧酰胺は医薬品産業で広く使用されており、その特性は抗炎症作用や抗ウイルス作用など、...
左西孟旦はどのように合成されますか?
左西孟旦は、3-[(2-メチルフェニル)-2-(4-メチルフェニル)-1-オキシエチル]-1,2,4-トリTürkiyeン-5-カルボン酸と4-メチルフェニル-...
3-乙氧基哌啶盐酸盐に適用される法規ガイドラインは何ですか?
CAS番号1159826-79-5の3-乙氧基哌啶盐酸盐は、GHS分類ではイエローカテゴリーに分類され、毒性物質として扱われます。REACH規則では、製造または...
Diethyl (hydroxymethyl)phosphonateの主な用途は何ですか?
Diethyl (hydroxymethyl)phosphonateは、医薬品の製造や農薬、合成化学の一部として利用されます。
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.
![4-[(2-Fluoro-4-methylphenyl)amino]-6-[4-(2-hydroxyethyl)-1-piperazinyl]-7-methoxy-3-cinnolinecarboxamide structure 4-[(2-Fluoro-4-methylphenyl)amino]-6-[4-(2-hydroxyethyl)-1-piperazinyl]-7-methoxy-3-cinnolinecarboxamide structure](https://static.chemtradehub.com/structs/104/1041852-85-0-fb1c.webp)

![4-{2-[(9H-Fluoren-9-ylmethoxy)carbonyl]hydrazino}benzoic acid structure 4-{2-[(9H-Fluoren-9-ylmethoxy)carbonyl]hydrazino}benzoic acid structure](https://static.chemtradehub.com/structs/214/214475-53-3-bf36.webp)

![5,10-Dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one structure 5,10-Dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one structure](https://static.chemtradehub.com/structs/581/5814-41-5-0b01.webp)