New insight into the structure of thiolated gold clusters: a structural prediction of the Au187(SR)68 cluster
文献情報
The structure of the thiolated Au187 cluster has been elucidated by density functional theory calculations. The structural model comprises a Marks-decahedral Au153 core protected with 34 monomer motifs. The predicted structure accomplished in this study is in good agreement with the experimental X-ray diffraction pattern. It is noteworthy that the used methodology represents an advance in the prediction of the molecular structure of thiolated gold clusters constituted by hundreds of gold atoms.
おすすめジャーナル

NDT & E International

Journal of the Indian Institute of Science

Colloid Journal

Polycyclic Aromatic Compounds

Herald of the Russian Academy of Sciences

Chinese Journal of Chemistry

Medicinal Chemistry Research

Bioorganic & Medicinal Chemistry Letters

Topics in Catalysis

Acta Metallurgica Sinica-English Letters
関連文献
Photocatalyzed cascade Meerwein addition/cyclization of N-benzylacrylamides toward azaspirocycles
Li Yuan, Sheng-Ming Jiang, Zeng-Zeng Li, Yong Zhu, Jian Yu, Lan Li, Ming-Zhu Li, Shi Tang
DOI: 10.1039/C8OB00132D
Cucurbitimines – imine cages with concave walls
Christine Bourguignon, Dorothee Schindler, Gangxiang Zhou, Frank Rominger, Michael Mastalerz
DOI: 10.1039/D1QO00478F
Peroxy mediated Csp2–Csp3 dehydrogenative coupling: regioselective functionalization of coumarins and coumarin-3-carboxylic acids
Farnaz Jafarpour, Masoumeh Darvishmolla
DOI: 10.1039/C7OB02771K
Iodine-catalyzed oxidative annulation of 3-cyanoacetylindoles with benzylamines: facile access to 5-(3-indolyl)oxazoles
Xiaozu Liu, Yuxiang Zhou, Guojun Chen, Zhongqin Yang, Qin Li, Peijun Liu
DOI: 10.1039/C8OB00833G
C8-Guanine modifications: effect on Z-DNA formation and its role in cancer
V. Vongsutilers, P. M. Gannett
DOI: 10.1039/C8OB00030A
A practical route to 2-iodoanilines via the transition-metal-free and base-free decarboxylative iodination of anthranilic acids under oxygen
DOI: 10.1039/D1QO00461A
Darzens reaction of thioisatins and sulfonium salts: approach to the synthesis of thiochromenone derivatives with anticancer potency
Jinhui Shen, Yang Yang, Xiaoli Hou, Wenlei Zeng, Aimin Yu, Xiaowei Zhao, Xiangtai Meng
DOI: 10.1039/C8OB00402A
Facile Cu(ii)-mediated conjugation of thioesters and thioacids to peptides and proteins under mild conditions
Yao Sun, Zhenbin Lyu, Xiaodong Zeng, Hui Zhou, Fuchun Xu, Ziyang Chen, Yuling Xu, Ping Xu
DOI: 10.1039/C8OB00536B
Synthesis of highly functionalized 1,6-dihydropyridines via the Zn(OTf)2-catalyzed three-component cascade reaction of aldimines and two alkynes (IA2-coupling)
Syeda Aaliya Shehzadi, Christophe M. L. Vande Velde, Aamer Saeed, Kourosch Abbaspour Tehrani
DOI: 10.1039/C8OB00195B
How are 1,2,3-triazoles accommodated in helical secondary structures?
Khoubaib Ben Haj Salah, Sanjit Das, Nicolas Ruiz, Vanessa Andreu, Jean Martinez, Emmanuel Wenger, Muriel Amblard, Claude Didierjean, Baptiste Legrand, Nicolas Inguimbert
DOI: 10.1039/C8OB00686E
こちらもおすすめ
2-メトキシ-4-(メチルスルフィニル)アミンの主な用途は何ですか?
2-メトキシ-4-(メチルスルフィニル)アミンは、主に医薬品および農薬の製造に使用されます。また、合成化学の一部として研究用材料としても利用されます。
4,6-二氯-N-甲基ピラミジンアミンの代替品はありますか?
代替品としては、4,6-二クロロピラミジンアミンや他のピラミジン系化合物が考えられます。ただし、目的と用途によって最適な代替品は異なります。
6-氯-4-甲基-1H-吲哚を含む廃棄物はどのように処理すべきですか?
6-氯-4-甲基-1H-吲哚の廃棄物は、適切な容器に収集し、密閉して保管します。温度は常温、湿度は低く、直射日光を避けて保管することを推奨します。廃棄処理は専門...
2-フローユロ-4-(トリフルオロメチル)ベンゾイドについて「に適用される法規ガイドラインは何ですか」
2-フローユロ-4-(トリフルオロメチル)ベンゾイドのCAS番号は207974-08-1です。この化合物はGHS分類で毒性物質と有害な反応物質として分類されます...
4-ニトロフェニルN-[(ベンゼルオキシルカーボンイル]グリシングリシングリシン酸はどのように保存すればよいですか?
4-ニトロフェニルN-[(ベンゼルオキシルカーボンイル]グリシングリシングリシン酸は、室温で暗所に保管し、乾燥した環境で保存することを推奨します。容器は密閉性の...
イソデスロラタドリンの代替品はありますか?
イソデスロラタドリンの代替品としては、デスロラタドリンや他の抗ヒスタミン薬が挙げられます。具体的には、デスロラタドリン、ラセカミド、フェルタドリンなどが、症状や...
5-甲氧基-1,2,3,4-四氢异喹啉盐酸盐はどのように合成されますか?
5-甲氧基-1,2,3,4-四氢异喹啉盐酸盐の一般的な合成方法は、メタノール中で5-メトキシ-1,2,3,4-四ヒュドロイソキシンを塩酸で塩化します。この反応で...
4-アミノ-5-メトキシ-2-トルエンサルホニック酸についての法規ガイドラインは何ですか?
CAS番号6471-78-9の4-アミノ-5-メトキシ-2-トルエンサルホニック酸は、GHS分類では corrosive(腐食性)と識別されます。EUのREAC...
甲基孕酮を取り扱う際の実験室安全事項は何ですか?
甲基孕酮の取り扱いは、PPE(個人保護具)の使用が必要な重要な安全事項を伴います。防塵マスク、ゴーグル、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...
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.

![5-Acetyl-2,3-dihydrobenzo[b]furan structure 5-Acetyl-2,3-dihydrobenzo[b]furan structure](https://static.chemtradehub.com/structs/908/90843-31-5-eea4.webp)
![N-[(Benzyloxy)carbonyl]serine structure N-[(Benzyloxy)carbonyl]serine structure](https://static.chemtradehub.com/structs/276/2768-56-1-77f7.webp)

