Generation of the organo-rare gas dications HCCRg2+ (Rg = Ar and Kr) in the reaction of acetylene dications with rare gases
Literature Information
Daniela Ascenzi, Paolo Tosi, Claire L. Ricketts, Detlef Schröder, Jessica F. Lockyear, Michael A. Parkes, Stephen D. Price
Using doubly ionized acetylene as a superelectrophilic reagent, the new rare-gas compounds HCCAr2+ and HCCKr2+ have been prepared for the first time in hyperthermal collisions of mass-selected C2H22+ with neutral rare gases (Rg). However, electron transfer from the rare gas to the acetylene dication as well as proton transfer from C2H22+ to the rare gas efficiently compete with formation of HCCRg2+. The computational investigations show that the formation of HCCRg2+ from acetylene dication is endothermic with Rg = He, Ne, Ar and Kr and only weakly exothermic with Xe. These energetic factors, as well as the pronounced competition with the other reactive channels help to explain why HCCRg2+ is only observed with Rg = Ar and Kr.
Recommended Journals
Related Literature
Mechanism and kinetics of the electrocatalytic reaction responsible for the high cost of hydrogen fuel cells
Tao Cheng, William A Goddard, III, Qi An, Hai Xiao, Boris Merinov, Sergey Morozov
DOI: 10.1039/C6CP08055C
Hydration of the simplest α-keto acid: a rotational spectroscopic and ab initio study of the pyruvic acid–water complex
Elijah G. Schnitzler, Nathan A. Seifert, Supriya Ghosh, Javix Thomas, Yunjie Xu, Wolfgang Jäger
DOI: 10.1039/C6CP08741H
Nonadiabatic Renner–Teller quantum dynamics of OH(X2Π) + H+ reactive collisions
Pablo Gamallo, Sinan Akpinar, Paolo Defazio, Carlo Petrongolo
DOI: 10.1039/C6CP07756K
A cationic naphthyl derivative defies the non-equilibrated excited rotamers principle
A. Cesaretti, B. Carlotti, F. Elisei, C. G. Fortuna, G. Consiglio, A. Spalletti
DOI: 10.1039/C6CP08311K
Low intensity, continuous wave photodoping of ZnO quantum dots – photon energy and particle size effects
Matías E. Aguirre, S. Municoy, M. A. Grela, A. J. Colussi
DOI: 10.1039/C6CP06829D
The crucial role of Mn spiral spin order in stabilizing the Dy–Mn exchange striction in multiferroic DyMnO3
H. W. Wang, C. L. Li, S. L. Yuan, J. F. Wang, C. L. Lu, J.-M. Liu
DOI: 10.1039/C6CP06369A
Ethane C–H bond activation on the Fe(iv)–oxo species in a Zn-based cluster of metal–organic frameworks: a density functional theory study
Sarawoot Impeng, Siwarut Siwaipram, Sareeya Bureekaew, Michael Probst
DOI: 10.1039/C6CP07771D
A new approach to distance measurements between two spin labels in the >10 nm range
DOI: 10.1039/C6CP07597E
Combining the spin-separated exact two-component relativistic Hamiltonian with the equation-of-motion coupled-cluster method for the treatment of spin–orbit splittings of light and heavy elements
Zhanli Cao, Zhendong Li, Fan Wang, Wenjian Liu
DOI: 10.1039/C6CP07588F
Effect of Ag and Pd promotion on CH4 selectivity in Fe(100) Fischer–Tröpsch catalysis
Jennifer Wilcox, David W. Ball
DOI: 10.1039/C6CP07116C
You might also like
What regulatory guidelines apply to 4-Amino-3-bromophenol (CAS: 74440-80-5)?
4-Amino-3-bromophenol (CAS: 74440-80-5) falls under the classification of a haza...
How should (17beta)-3-Oxoestr-4-en-17-yl acetate (CAS: 1425-10-1) be stored?
(17beta)-3-Oxoestr-4-en-17-yl acetate should be stored in a cool, dry place away...
What are the physical and chemical properties of 2-[(2,2-Diethoxyethyl)disulfanyl]-1,1-diethoxyethane (CAS: 76505-71-0)?
2-[(2,2-Diethoxyethyl)disulfanyl]-1,1-diethoxyethane (CAS: 76505-71-0) is a colo...
What is the market or research trend for 1-(β-D-ribofuranosyl)-1H-imidazo[4,5-c]pyridin-4-amine?
The market and research for 1-(β-D-ribofuranosyl)-1H-imidazo[4,5-c]pyridin-4-ami...
How should waste containing Conjugated Estrogen (CAS: 12126-59-9) be handled?
Waste containing Conjugated Estrogen (CAS: 12126-59-9) should be collected and d...
What is the market or research trend for Bis(2,2,2-trifluoroethyl) (methoxycarbonylmethyl)phosphonate?
The market for Bis(2,2,2-trifluoroethyl) (methoxycarbonylmethyl)phosphonate (CAS...
Are there alternatives to 3,4'-Di-O-methylellagic acid (CAS: 57499-59-9) in synthesis?
There are several alternatives to 3,4'-Di-O-methylellagic acid (CAS: 57499-59-9)...
What regulatory guidelines apply to 2-Chloro-N,N-dimethylpyridin-4-amine (CAS: 59047-70-0)?
2-Chloro-N,N-dimethylpyridin-4-amine (CAS: 59047-70-0) is regulated under the Gl...
What is cerium(3+);oxygen(2-);vanadium(5+) (CAS: 13597-19-8)?
Cerium(3+);oxygen(2-);vanadium(5+) (CAS: 13597-19-8) is a complex inorganic comp...
Is 7-Chloro-1-iodoisoquinoline (CAS: 1203579-27-4) safe?
7-Chloro-1-iodoisoquinoline (CAS: 1203579-27-4) is generally considered safe whe...
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.














