Stability and spectral properties of the dication Ne 2+2
文献信息
H. Hogreve
The dication Ne2+2 and its stability properties are studied by ab initio methods. Assuming the Born–Oppenheimer approximation and employing multireference configuration interaction techniques, potential energy curves of its low-lying electronic spectrum have been computed and analyzed. In addition to identifying metastable electronic and vibrational states, possible electronic transitions and decay mechanisms are examined. Our results also shed new light on the role of the dication as an excimer system and the interpretation of experimentally observed continua in Ne2 ultraviolet emission spectra.
期刊推荐

Bioorganic & Medicinal Chemistry Letters

Cellulose

Journal of Asian Natural Products Research

Critical Reviews in Solid State and Materials Sciences

Topics in Catalysis

Herald of the Russian Academy of Sciences

Chinese Journal of Chemistry

Heteroatom Chemistry

Biocatalysis and Biotransformation

Journal of the Indian Institute of Science
相关文献
Rate coefficients for the reaction of OH with (E)-2-pentenal, (E)-2-hexenal, and (E)-2-heptenal
A. R. Ravishankara, James B. Burkholder
DOI: 10.1039/B700235A
Statistics of single molecule SERS signals: is there a Poisson distribution of intensities?
P. G. Etchegoin, M. Meyer, E. C. Le Ru
DOI: 10.1039/B704013J
Dispersed fluorescence spectroscopy of jet-cooled adenine
Nam Joon Kim, Hyuk Kang, Young Dong Park, Seong Keun Kim
DOI: 10.1039/B313467A
Dumbbells and onions in ternary nucleation
Ricky B. Nellas, Bin Chen, J. Ilja Siepmann
DOI: 10.1039/B705385A
Two-photon absorption of Zn(ii) octupolar molecules
Simone Mazzucato, Ilaria Fortunati, Sara Scolaro, Michele Zerbetto, Camilla Ferrante, Raffaella Signorini, Danilo Pedron, Renato Bozio, Danika Locatelli, Stefania Righetto, Dominique Roberto, Renato Ugo, Alessandro Abbotto, Graziano Archetti, Luca Beverina, Sergio Ghezzi
DOI: 10.1039/B618709A
Highly effective quenching of the ultrafast radiationless decay of photoexcited pyrimidine bases by covalent modification: photophysics of 5,6-trimethylenecytosine and 5,6-trimethyleneuracil
Marek Z. Zgierski, Takashige Fujiwara, William G. Kofron, Edward C. Lim
DOI: 10.1039/B704001F
Hydrogen storage: the remaining scientific and technological challenges
Michael Felderhoff, Claudia Weidenthaler, Rittmar von Helmolt, Ulrich Eberle
DOI: 10.1039/B701563C
A fulleropyrrolidine end-capped platinum-acetylide triad: the mechanism of photoinduced charge transfer in organometallic photovoltaic cells
Fengqi Guo, Katsu Ogawa, Young-Gi Kim, Evgeny O. Danilov, Felix N. Castellano, John R. Reynolds, Kirk S. Schanze
DOI: 10.1039/B700379J
Modified Shepard interpolation method applied to trapping mediated adsorption dynamics
P. N. Abufager, C. Crespos, H. F. Busnengo
DOI: 10.1039/B617209A
CO adsorption on Cu–Pd alloy surfaces: ligandversus ensemble effects
Sung Sakong, Christian Mosch, Axel Groß
DOI: 10.1039/B615547B
您可能还喜欢
4-[4-三氟甲基苯基]恶唑(CAS号:1126636-40-5)通常如何合成?
4-[4-三氟甲基苯基]恶唑通常通过将4-三氟甲基苯酚与异硫氰酸苯酯在有机溶剂中进行酯化反应合成。该反应可在无水条件下,使用适当的催化剂,如四丁基氢氧化铵,以提...
RockPhos Pd G3(CAS号:2009020-38-4)通常如何合成?
RockPhos Pd G3 通常通过钯催化偶联反应合成,使用配体 (2'-Amino-2-biphenylyl)(methanesulfonato-kappa...
1-哌啶甲酰胺(CAS号:2158-03-4)的市场或研究趋势如何?
1-哌啶甲酰胺作为有机合成中的重要中间体,其市场需求主要受医药、农药、染料等行业推动。近年来,随着新药开发和绿色化学的发展,该化合物的研究趋势集中在开发更高效、...
2-(二苯基膦基)乙胺(CAS号:4848-43-5)适用哪些法规指南?
2-(二苯基膦基)乙胺适用于多种法规指南,包括但不限于《全球化学品统一分类和标签制度》(GHS),欧盟《化学品注册、评估、授权和限制》法规(REACH),以及美...
如何储存间苯二甲酸二烯丙酯(CAS号:1087-21-4)?
间苯二甲酸二烯丙酯应储存在阴凉、干燥、通风良好的地方,远离火源和热源。储存容器应密封,避免光照和高温。储存温度应控制在25℃以下,相对湿度应低于80%。避免与其...
什么是间甲苯异硫代异氰酸酯(CAS号:621-30-7)?
间甲苯异硫代异氰酸酯是一种有机化合物,分子式为C7H7NO2S,具有刺激性气味。它是一种重要的有机合成中间体,在合成其他化合物时广泛应用。
在合成中是否有N-Boc-D-苯丙氨醇(CAS号:106454-69-7)的替代品?
在合成中,可以考虑使用N-Cbz-D-苯丙氨醇或N-Fmoc-D-苯丙氨醇作为替代品。这些化合物同样具有保护氨基的功能,且在合成过程中表现出良好的反应性能。
3-羟甲基-2-氧异丙基吡啶(CAS号:954240-50-7)的主要用途是什么?
3-羟甲基-2-氧异丙基吡啶主要用于有机合成领域,可以作为合成其他药物、农药或精细化学品的中间体。此外,它还可能在实验室研究中作为特定反应的前体或溶剂。
6-氨基-9-甲基嘌呤(CAS号:700-00-5)应用于哪些行业?
6-氨基-9-甲基嘌呤目前主要应用于医药行业,作为某些药物的中间体。此外,它还可能用于聚合物、传感器和半导体的某些领域,作为功能性单体或掺杂剂。
来源期刊
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.
![3-[(4-Nitrobenzyl)oxy]-3-oxopropanoic Acid structure 3-[(4-Nitrobenzyl)oxy]-3-oxopropanoic Acid structure](https://cnstatic.chemtradehub.com/structs/773/77359-11-6-0d04.webp)
![2-{3-[4-(3-Chlorophenyl)-1-piperazinyl]propyl}[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one hydrochloride (1:1) structure 2-{3-[4-(3-Chlorophenyl)-1-piperazinyl]propyl}[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one hydrochloride (1:1) structure](https://cnstatic.chemtradehub.com/structs/253/25332-39-2-496e.webp)


