A density functional study of the adsorption of CO on Rh(111)
Literature Information
D. Curulla, R. Linke, A. Clotet, J. M. Ricart, J. W. Niemantsverdriet
Adsorption of CO on Rh{111} has been studied by means of density functional calculations within the cluster model approach. Optimized structures and C–O stretching frequencies appear to be in good agreement with experiment and they permit the confirmation of the structural model suggested by Beutler et al. (A. Beutler, E. Lundgren, R. Nyholm, J. N. Andersen, B. Setlik and D. Heskett, Surf. Sci., 1997, 371, 381, A. Beutler, E. Lundgren, R. Nyholm, J. N. Andersen, B. Setlik and D. Heskett, Surf. Sci., 1998, 396, 117) using HRCLS. Vibrational frequency shift dependence on surface coverage has been analyzed in terms of dipole–dipole coupling and chemical effects. Furthermore, we discuss a third mechanism that is likely to be responsible for the shift to higher frequencies at high coverage regimes.
Recommended Journals
Related Literature
4,7-Di-2-thienyl-2,1,3-benzothiadiazole with hexylthiophene side chains and a benzodithiophene based copolymer for efficient organic solar cells
Xichang Bao, Liangliang Han, Jiuxing Wang, Meng Qiu, Qianqian Zhu, Mingliang Sun, Renqiang Yang
DOI: 10.1039/C5PY00199D
Construction of redox/pH dual stimuli-responsive PEGylated polymeric micelles for intracellular doxorubicin delivery in liver cancer
Hong Yu Yang, Moon-Sun Jang, Guang Hui Gao, Jung Hee Lee, Doo Sung Lee
DOI: 10.1039/C5PY01808K
A new role of curcumin: as a multicolor photoinitiator for polymer fabrication under household UV to red LED bulbs‡
Jiacheng Zhao, Jacques Lalevée, Hongxu Lu, Rowan MacQueen, Scott H. Kable, Timothy W. Schmidt, Martina H. Stenzel, Pu Xiao
DOI: 10.1039/C5PY00661A
A pH-sensitive and biodegradable supramolecular hydrogel constructed from a PEGylated polyphosphoester-doxorubicin prodrug and α-cyclodextrin
Fei Li, Jinlin He, Mingzu Zhang, Peihong Ni
DOI: 10.1039/C5PY00620A
Polymerization and degradation of aliphatic polyesters synthesized by atom transfer radical polyaddition
Yu-Min Han, Hsin-Hua Chen, Chih-Feng Huang
DOI: 10.1039/C5PY00388A
A cross-linked supramolecular polymer constructed from pillar[5]arene and porphyrine via host–guest interactions
Nana Sun, Jianzhuang Jiang
DOI: 10.1039/C5PY00683J
You might also like
What are the main uses of (5-Sulfamoyl-3-pyridinyl)boronic acid (CAS: 951233-61-7)?
(5-Sulfamoyl-3-pyridinyl)boronic acid is primarily used in chemical synthesis, p...
How is Benzyl 2-methyl-2-(methylsulfonyl)-4-pentenoate (CAS: 1942858-50-5) typically synthesized?
Benzyl 2-methyl-2-(methylsulfonyl)-4-pentenoate is typically synthesized via est...
What precautions should be taken when handling 8-Fluoroquinolin-6-ol (CAS: 209353-22-0)?
When handling 8-Fluoroquinolin-6-ol (CAS: 209353-22-0), it is important to use p...
What are the physical and chemical properties of 1,3-Dibromo-5-(2-methyl-2-propanyl)benzene (CAS: 129316-09-2)?
1,3-Dibromo-5-(2-methyl-2-propanyl)benzene (CAS: 129316-09-2) is a crystalline c...
What industries use Ethyl 7-chloro-4-oxo-1-(1,3-thiazol-2-yl)-1,4-dihydro-1,8-naphthyridine-3-carboxylate (CAS: 174726-87-5)?
Ethyl 7-chloro-4-oxo-1-(1,3-thiazol-2-yl)-1,4-dihydro-1,8-naphthyridine-3-carbox...
What precautions should be taken when handling Delta-7-Avenasterol (CAS: 23290-26-8)?
When handling Delta-7-Avenasterol (CAS: 23290-26-8), it is important to wear app...
What precautions should be taken when handling N-({(5R)-3-[3-Fluoro-4-(4-morpholinyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl}methyl)acetamide (CAS: 872992-20-6)?
Proper handling involves the use of personal protective equipment such as gloves...
What precautions should be taken when handling 2-Methyl-2-proanyl 4-[(2-aminophenyl)amino]-1-piperidinecarboxylate (CAS: 79099-00-6)?
When handling 2-Methyl-2-proanyl 4-[(2-aminophenyl)amino]-1-piperidinecarboxylat...
What is N-Methyl-4-chlorobenzylamine hydrochloride (CAS: 65542-24-7)?
N-Methyl-4-chlorobenzylamine hydrochloride (CAS: 65542-24-7) is a organic compou...
Is [2-(Dodecyloxy)ethoxy]acetic acid (CAS: 27306-90-7) safe?
[2-(Dodecyloxy)ethoxy]acetic acid (CAS: 27306-90-7) is generally considered safe...
Source Journal
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-Azaspiro[4.5]decane-3,8-dione structure 2-Azaspiro[4.5]decane-3,8-dione structure](https://static.chemtradehub.com/structs/914/914780-96-4-e94b.webp)
![[3-Fluoro-4-(1-pyrrolidinylcarbonyl)phenyl]boronic acid structure [3-Fluoro-4-(1-pyrrolidinylcarbonyl)phenyl]boronic acid structure](https://static.chemtradehub.com/structs/874/874289-09-5-e3d4.webp)


