Effect of surface stiffness on the efficiency of surface-induced dissociation
Literature Information
Classical trajectory simulations are performed to study the energy transfer and unimolecular dynamics associated with collisions of Cr(CO)6+ ions with n-hexyl thiolate self-assembled monolayer (SAM) and diamond{111} surfaces at a collision energy and angle of 30 eV and 45°. The trajectories are calculated with an analytic potential energy function fit to high-level ab initio calculations and experimental data. The “soft ” SAM and “hard” diamond surfaces have highly different collision dynamics. The average percent energy transfer to Cr(CO)6+ internal degrees of freedom, the surface, and Cr(CO)6+ translation are 10, 60 and 21% respectively, for the SAM surface and 30, 14 and 56% for the diamond surface. The Cr(CO)6+ ions, which collide with the SAM surface, dissociate by intramolecular vibrational energy redistribution (IVR) and lifetimes in accord with RRKM theory. In contrast, Cr(CO)6+ ions, activated by collision with the diamond surface, dissociate ia direct translation to vibration (T–V) energy transfer and a shattering mechanism.
Related Literature
Insights into the polymorphism of glycine: membrane crystallization in an electric field
Gianluca Di Profio, Mika T. Reijonen, Rocco Caliandro, Antonietta Guagliardi, Efrem Curcio, Enrico Drioli
DOI: 10.1039/C3CP50664A
The interaction of H2S with the ZnO(100) surface
Jakub Goclon, Bernd Meyer
DOI: 10.1039/C3CP44546A
K-edge XANES investigation of octakis(DMSO)lanthanoid(iii) complexes in DMSO solution and solid iodides
Paola D'Angelo, Valentina Migliorati, Riccardo Spezia, Simone De Panfilis, Ingmar Persson, Andrea Zitolo
DOI: 10.1039/C3CP50842K
The behavior and origin of the excess wing in DEET (N,N-diethyl-3-methylbenzamide)
S. Hensel-Bielowka, J. R. Sangoro, Z. Wojnarowska, M. Paluch
DOI: 10.1039/C3CP50975C
The chemical sensitivity of X-ray spectroscopy: high energy resolution XANESversusX-ray emission spectroscopy of substituted ferrocenes
Andrew J. Atkins, Matthias Bauer, Christoph R. Jacob
DOI: 10.1039/C3CP50999K
On the dual emission of p-dimethylaminobenzonitrile and its photophysical implications
Javier Catalán
DOI: 10.1039/C3CP44627A
Powder crystallography of pharmaceutical materials by combined crystal structure prediction and solid-state 1H NMR spectroscopy
Maria Baias, Cory M. Widdifield, Jean-Nicolas Dumez, Hugh P. G. Thompson, Timothy G. Cooper, Elodie Salager, Sirena Bassil, Robin S. Stein, Anne Lesage, Graeme M. Day, Lyndon Emsley
DOI: 10.1039/C3CP41095A
C60fullerene aggregation in aqueous solution
Yuriy I. Prylutskyy, Anatoly S. Buchelnikov, Dmitry P. Voronin, Viktor V. Kostjukov, Uwe Ritter, John A. Parkinson, Maxim P. Evstigneev
DOI: 10.1039/C3CP50187F
Synthesis and acid catalysis of zeolite-templated microporous carbons with SO3H groups
Kiichi Fukuhara, Masaaki Kitano, Shigenobu Hayashi, Michikazu Hara
DOI: 10.1039/C3CP43853H
An ab initio investigation of Li2M0.5N0.5SiO4 (M, N = Mn, Fe, Co Ni) as Li-ion battery cathode materials
Sirous Asgari, Doretta Capsoni, Piercarlo Mustarelli
DOI: 10.1039/C3CP51481A
You might also like
How should waste containing (6-Bromo-2-naphthyl)oxy](dimethyl)(2-methyl-2-propanyl)silane be handled?
Waste containing (6-Bromo-2-naphthyl)oxy](dimethyl)(2-methyl-2-propanyl)silane (...
How is 7-Fluoro-4-isoquinolinecarboxylic acid (CAS: 1841081-40-0) typically synthesized?
7-Fluoro-4-isoquinolinecarboxylic acid can be synthesized via a multi-step proce...
What are the physical and chemical properties of 2,3,5,6-Tetrabromothieno[3,2-b]thiophene (CAS: 124638-53-5)?
2,3,5,6-Tetrabromothieno[3,2-b]thiophene is a crystalline compound with a high m...
Is 1-[4-(Benzylamino)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]-2-methyl-1H-indole-4-carboxamide (CAS: 1542705-92-9) safe?
1-[4-(Benzylamino)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]-2-methyl-1H-indol...
What is the market or research trend for imidazo[5,1-d]-1,2,3,5-tetrazine-8-carboxylic acid, 3,4-dihydro-3-methyl-4-oxo- (CAS: 113942-30-6)?
The market for imidazo[5,1-d]-1,2,3,5-tetrazine-8-carboxylic acid, 3,4-dihydro-3...
What is 3-(Triisopropylsilyl)propiolaldehyde (CAS: 163271-80-5)?
3-(Triisopropylsilyl)propiolaldehyde is a synthetic organic compound with the CA...
What regulatory guidelines apply to 6-Nitro-2H-1,4-benzoxazin-3(4H)-one (CAS: 81721-87-1)?
6-Nitro-2H-1,4-benzoxazin-3(4H)-one (CAS: 81721-87-1) is subject to various regu...
How should waste containing (3-Fluorophenyl)(4-{[(2-methyl-2-propanyl)oxy]carbonyl}-1-piperazinyl)acetic acid (CAS: 885272-91-3) be handled?
Waste containing (3-Fluorophenyl)(4-{[(2-methyl-2-propanyl)oxy]carbonyl}-1-piper...
What are the physical and chemical properties of N,N'-4,4'-Biphenyldiyldiisonicotinamide (CAS: 55119-40-9)?
N,N'-4,4'-Biphenyldiyldiisonicotinamide is a white crystalline solid with a mole...
What industries use 6-Bromo-8-fluoro-2-quinazolinol (CAS: 1036756-15-6)?
6-Bromo-8-fluoro-2-quinazolinol is primarily used in the pharmaceutical industry...
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.










![2,9-Dichloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione structure 2,9-Dichloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione structure](https://static.chemtradehub.com/structs/308/3089-17-6-750b.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)

