Adsorption and interaction of CO2 on rutile TiO2(110) surfaces: a combined UHV-FTIRS and theoretical simulation study
文献情報
Yunjun Cao, Shujun Hu, Min Yu, Shishen Yan, Mingchun Xu
CO2 adsorption and interaction on rutile TiO2(110) surfaces was studied by UHV-FTIRS combined with theoretical simulations. With increasing CO2 exposure, CO2 adsorbs in succession at the oxygen vacancy (Vo) sites, on the five-coordinated Ti cation (Ti5c) sites and the bridging oxygen (Obr) sites at low temperature. The coupling has occurred between neighboring CO2 adsorbed on Ti5c sites from rather low CO2 coverage (∼0.5 ML), leading the ν3(OCO) asymmetric stretching vibrations to split into two absorption bands in IR spectra. Two kinds of coupled geometries of adjacent CO2 on Ti5c sites are determined by theoretical simulations. For the higher CO2 coverage (∼1.5 ML), the horizontal adsorption configuration along the [10] azimuth of CO2 adsorbed on Obr sites is identified for the first time using polarization- and azimuth-resolved RAIRS in experiments. The significant deviation of CO2 from the top of Obr sites demonstrates the strong coupling between CO2 adsorbed on Obr and Ti5c sites.
関連文献
Generation and pH dependent superquenching of poly(amido) carboxylate dendrons hosting a single “focal point” pyrene
Siddharth Pandey, Rebecca A. Redden, Kristin A. Fletcher, Darryl Y. Sasaki, Angel E. Kaifer, Gary A. Baker
DOI: 10.1039/B403477P
Palladium(0)-catalyzed direct cross-coupling reaction of allyl alcohols with aryl- and vinyl-boronic acids
Hirokazu Tsukamoto, Masanori Sato, Yoshinori Kondo
DOI: 10.1039/B402256D
Efficient protein–ligand interaction by guaranteeing mesospacing between immobilized biotins
Young-Seo Choi, Chang Won Yoon, Hae Dong Lee, Minyoung Park, Joon Won Park
DOI: 10.1039/B403797A
Reversible Michael addition of thiols as a new tool for dynamic combinatorial chemistry
Baolu Shi, Michael F. Greaney
DOI: 10.1039/B414300K
First successful application of diphosphite ligands in the asymmetric hydroformylation of dihydrofurans
Montserrat Diéguez, Oscar Pamies, Carmen Claver
DOI: 10.1039/B416514D
The first solid state structure of a triruthenium polypyridyl complex
Matthew I. J. Polson, Garry S. Hanan, Nicholas J. Taylor, Bernold Hasenknopf, René Thouvenot
DOI: 10.1039/B401276C
Ir-Beta zeolite as a heterogeneous catalyst for the one-pot transformation of citronellal to menthol
Vasile Pârvulescu, Paul Grange, Stéphanie Delsarte, Dirk De Vos, Pierre Jacobs
DOI: 10.1039/B403692A
A concise synthesis of a rigid isomannide-based diphosphine ligand and structural characterisation of an alkoxyphosphonium intermediate
Cristina Carcedo, Athanasia Dervisi, Ian A. Fallis, Liling Ooi, K. M. Abdul Malik
DOI: 10.1039/B401301H
Metal bis{(trifluoromethyl)sulfonyl}amide complexes: highly efficient Friedel–Crafts acylation catalysts
Martyn J. Earle, Ullastiina Hakala, Barry J. McAuley, Mark Nieuwenhuyzen, Alwar Ramani, Kenneth R. Seddon
DOI: 10.1039/B403650F
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.













![2-(7,7-Difluorobicyclo[4.1.0]hept-1-yl)ethanamine structure 2-(7,7-Difluorobicyclo[4.1.0]hept-1-yl)ethanamine structure](https://static.chemtradehub.com/structs/209/2098065-08-6-ff24.webp)
