Redox behavior of small metal clusters with respect to hydrogen. The effect of the cluster charge from density functional results
文献情報
Galina P. Petrova, Georgi N. Vayssilov, Notker Rösch
Tetrahedral model iridium species [Ir4Hn]q+ of different charge and hydrogen loading were described at the density functional level. The energy of dissociative adsorption of hydrogen was calculated to vary in the small interval from −63 kJ mol−1 to −77 kJ mol−1 (per H atom). Adsorption of hydrogen on Ir4 and Ir4+ induces an oxidation of the metal moiety, whereas the highly charged cluster Ir43+ is reduced upon hydrogen adsorption. The ligand shell acts as charge buffer as the metal moieties of the complexes [Ir4H12]q+ with maximum hydrogen loading carry very similar effective charges, irrespective of the total charge q. Similar effects were confirmed to occur on small clusters of other 4d and 5d transition metals.
関連文献
The structure of nanotubes formed by diphenylalanine, the core recognition motif of Alzheimer's β-amyloid polypeptide
Carl Henrik Görbitz
DOI: 10.1039/B603080G
A facile room temperature layer-by-layer deposition process for the fabrication of ultrathin films with noncentrosymmetrically oriented azobenzene chromophores
En-Hua Kang, Pengcheng Jin, Yanqiang Yang, Junqi Sun, Jiacong Shen
DOI: 10.1039/B606927D
Exceptional performance of sulfonic acid-incorporated-MCM-41 mesoporous materials prepared using a silane containing polysulfide linkages in the acetylation of anisole
OZoon Kwon, SeMin Park, Gon Seo
DOI: 10.1039/B708770E
Electrochemical STM observation of new structures of CO adsorbed on a Pt(111) electrode surface
Changhoon Jung, Bonseong Ku, Jandee Kim, Choong Kyun Rhee
DOI: 10.1039/B603033E
Uranyl stabilized Schiff base complex
Mohan S. Bharara, Stephen A. Tonks, Anne E. V. Gorden
DOI: 10.1039/B712322A
Sol–gel encapsulation of cells is not limited to silica: long-term viability of bacteria in alumina matrices
Makhlouf Amoura, Nadine Nassif, Cécile Roux, Jacques Livage, Thibaud Coradin
DOI: 10.1039/B711380C
The photoinduced long-lived charge-separated state of Ru(bpy)3–methylviologen with cucurbit[8]uril in aqueous solution
Shiguo Sun, Rong Zhang, Samir Andersson, Jingxi Pan, Björn Åkermark, Licheng Sun
DOI: 10.1039/B609015J
Constructing, deconstructing, and reconstructing ternary supermolecules‡
Christer B. Aakeröy, John Desper, Michelle M. Smith
DOI: 10.1039/B707518A
Superacid promoted reactions of N-acyliminium salts and evidence for the involvement of superelectrophiles‡
Yiliang Zhang, Daniel J. DeSchepper, Thomas M. Gilbert, Kiran Kumar S. Sai, Douglas A. Klumpp
DOI: 10.1039/B708760H
こちらもおすすめ
噻奈普汀乙酯の物理化学的性質は何ですか?
CAS番号66981-77-9の噻奈普汀乙酯は、結晶性白色粉末であり、分子量は476.9 g/molです。この化合物は水に溶けにくく、一般的には有機溶媒で溶解し...
アミピシリン不純物Fとは何ですか?
アミピシリン不純物Fは、CAS番号124774-48-7の化合物です。これは、抗生物質アミピシリンの生産過程で生成される不純物の一つであり、(4S)-2-({[...
イリジウム(I)ヘキサフルオロフォスファートの代替品はありますか?
イリジウム(I)ヘキサフルオロフォスファートの代替品として、他の有機金属化合物や非有機金属化合物が使用されることがあります。具体的には、ダイゾニウム塩や他の金属...
含有3-(苯氧基甲基)苯硼酸频那醇酯の廃棄物はどのように処理すべきですか?
含有3-(苯氧基甲基)苯硼酸频那醇酯の廃棄物は、安全な方法で処理する必要があります。まず、廃棄物を適切な容器に収集し、避けて保管します。次に、専門の廃棄処理業者...
2-甲基辛-1-醇を取り扱う際の実験室安全事項は何ですか?
取り扱う際は、密閉のゴーグルと手袋を着用することが推奨されます。ドラフトチャンバーを使用し、漏洩時には速やかに取り扱いを中止し、適切な排気設備を使用してください...
3α-アセトキノイドコレステロールエステルはどのように保存すればよいですか?
3α-アセトキノイドコレステロールエステルは、常温から低温(0-5℃)の暗所で保存し、密閉容器に入れることで安定性を保つことが推奨されます。また、湿気や酸素から...
2-ぶンジロキシ-4-(トリフルオロメチル)フェノルビノン酸の主な用途は何ですか?
2-ぶンジロキシ-4-(トリフルオロメチル)フェノルビノン酸は、化学合成の触媒としての使用や、医薬品の合成材料としての役割があります。また、特定の合成路線で使用...
(2S,3R)-2-氨基-3-甲基丁二酸はどのように合成されますか?
(2S,3R)-2-氨基-3-甲基丁二酸は、2-ヒドロキシ-3-メチル丁酸とアミノ化反応を行うことで合成されます。触媒としてジクロロメタンが使用され、選択性と収...
1-Benzyl-2-phenyl-1H-imidazoleはどのように保存すればよいですか?
この化合物は常温で避けてください。直射日光を避け、密閉容器で保存し、湿気を防水の容器に入れて保管してください。
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-Nitrophenyl N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-isoleucinate structure 4-Nitrophenyl N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-isoleucinate structure](https://static.chemtradehub.com/structs/169/16948-38-2-c88f.webp)


