Dynamics of water and template molecules in the interlayer space of a layered aluminophosphate. Experimental inelastic neutron scattering spectra and molecular dynamics simulated spectra
文献情報
We report an inelastic neutron scattering (INS) study of a templated layered chiral aluminophosphate: [Co(tn)3]Al3P4O16ยท2H2O [tn is 1,3-diaminopropane, NH2(CH2)3NH2]. A detailed assignment of the experimental vibrational spectrum in the range 0โ1000 cm-1 has been made with the aid of molecular dynamics (MD) and density functional theory (DFT) calculations. We discuss the dynamics of interlayer water and template molecules (200โ1000 cm-1) and correlated phonon modes (16โ150 cm-1) of the aluminophosphate lattice and the interlayer species, and thereby infer some of the factors that stabilise this material.
関連文献
The fast Z-scan method for studying working catalytic reactors with high energy X-ray diffraction: ZSM-5 in the methanol to gasoline process
David S. Wragg, Francesca L. Bleken, Matthew G. O'Brien, Marco Di Michiel, Helmer Fjellvåg, Unni Olsbye
DOI: 10.1039/C3CP44343D
Confirmation of disordered structure of ultrasmall CdSe nanoparticles from X-ray atomic pair distribution function analysis
Xiaohao Yang, Ahmad S. Masadeh, James R. McBride, Emil S. Božin, Sandra J. Rosenthal
DOI: 10.1039/C3CP00111C
Interesting thermal variations owing to cationic ring structural features in protic ionic liquids
Gitanjali Rai, Anil Kumar
DOI: 10.1039/C3CP50314C
A multi-scale molecular dynamics study of the assembly of micron-size supraparticles from 30 nm alkyl-coated nanoparticles
Damien Thompson, Mateusz Sikora, Piotr Szymczak, Marek Cieplak
DOI: 10.1039/C3CP50523E
Strain-induced Dirac cone-like electronic structures and semiconductor–semimetal transition in graphdiyne
Hui-Juan Cui, Xian-Lei Sheng, Qing-Bo Yan, Qing-Rong Zheng, Gang Su
DOI: 10.1039/C3CP44457K
Field effect transistors and RC filters from pencil-trace on paper
Narendra Kurra, Dipanwita Dutta, Giridhar U. Kulkarni
DOI: 10.1039/C3CP50675D
Reversibility in protein folding: effect of β-cyclodextrin on bovine serum albumin unfolded by sodium dodecyl sulphate
Uttam Anand, Saptarshi Mukherjee
DOI: 10.1039/C3CP50207D
Structure of Nb2O5–NaPO3 glasses by X-ray and neutron diffraction
U. Hoppe, L. Delevoye, L. Montagne, M. v. Zimmermann, A. C. Hannon
DOI: 10.1039/C2CP42772A
CVD formation of graphene on SiC surface in argon atmosphere
Małgorzata Wierzbowska, Adam Dominiak, Kamil Tokar
DOI: 10.1039/C3CP44378G
Electronic structure analysis of multistate reactivity in transition metal catalyzed reactions: the case of C–H bond activation by non-heme iron(iv)–oxo cores
Shengfa Ye, Cai-Yun Geng, Sason Shaik, Frank Neese
DOI: 10.1039/C3CP00080J
こちらもおすすめ
3-(5-フェニル-2-ファイル)-プロパン酸の市場動向や研究トレンドはどうですか?
この化合物の市場動向は不明ですが、類似化合物の需要は化学繊維、医薬品、農薬分野で安定しています。研究トレンドとしては、該当化合物の生物学的活性の評価や、その他の...
3- Chloro-1H-indazol-5-olはどのように保存すればよいですか?
3- チロロ-1H-吲唑-5-醇は遮光し、直射日光を避けて、温度は室温を推奨し、密閉容器に保存してください。
L-(1-~13~C)メチオニンの市場動向や研究トレンドはどうですか?
L-(1-~13~C)メチオニンは、医薬品やバイオテクノロジー分野での研究が増加しており、その価格は安定しています。新興研究分野では、代謝解析や遺伝子機能解析で...
1,3-フェニレンビスメチレンビスアクリレートは安全ですか?
1,3-フェニレンビスメチレンビスアクリレートは一般的に安全ですが、直接皮膚に触れる場合は保護用具を使用することを推奨します。高濃度の蒸気が吸入された場合は呼吸...
丹参醇Aはどのように保存すればよいですか?
丹参醇Aは、直射日光を避けて室温で保存し、密栓容器に入れることをお勧めします。適切な保存条件は、安定性を保ち、安全性を確保する上で重要です。
4-メチル-2-(1,1,1-三フロロ-2-メチルプロパニル)ピリドインとは何ですか?
CAS番号1378865-93-0の4-メチル-2-(1,1,1-三フロロ-2-メチルプロパニル)ピリドインは、合成化学分野で用いられる有機化合物の一種です。こ...
N-フェニルベンジル-2-クロロ酢氨を取り扱う際の実験室安全事項は何ですか?
N-フェニルベンジル-2-クロロ酢氨は毒性があり、皮膚や粘膜に刺激を与えます。取り扱う際には、保護眼鏡、手袋、ゴーグルを着用することを強く推奨します。ドラフトチ...
UCN-02を取り扱う際の実験室安全事項は何ですか?
UCN-02は毒性は低いですが、人体への直接的な接触は避けるべきです。PPE要件はグローブと顔面保護具を着用することです。ドラフトチャンバーを使用して漏洩を処理...
N-[3-[2-(二甲基氨基)乙氧基]-4-甲氧基苯基]-2'-甲基-4'-(5-甲基-1,2,4-恶二唑-3-基)-[1,1'-联苯]-4-甲酰胺を取り扱う際の実験室安全事項は何ですか?
手袋と保護眼鏡を着用し、漏洩時には吸気防止装置を使用してください。室温、乾燥した場所に保管し、直日光から隔離してください。SDS(安全データシート)を参照してく...
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.











![2,2'-{2,2-Propanediylbis[(2,6-dibromo-4,1-phenylene)oxy]}diethanol structure 2,2'-{2,2-Propanediylbis[(2,6-dibromo-4,1-phenylene)oxy]}diethanol structure](https://static.chemtradehub.com/structs/416/4162-45-2-b3d6.webp)

![(2S)-2-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)-4-pentynoic acid structure (2S)-2-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)-4-pentynoic acid structure](https://static.chemtradehub.com/structs/630/63039-48-5-b66d.webp)
![2-{[4-(2-Methoxyethyl)phenoxy]methyl}oxirane structure 2-{[4-(2-Methoxyethyl)phenoxy]methyl}oxirane structure](https://static.chemtradehub.com/structs/567/56718-70-8-f037.webp)