Fragmentation of valence electronic states of CF3–CH2F+ and CHF2–CHF2+ in the range 12–25 eV
文献信息
Weidong Zhou, D. P. Seccombe, R. P. Tuckett
Tunable vacuum-ultraviolet radiation from a synchrotron source and threshold photoelectron–photoion coincidence spectroscopy have been used to study the decay dynamics of the valence electronic states of CF3–CH2F+ and CHF2–CHF2+. The threshold photoelectron spectra, fragment ion yield curves, and breakdown diagrams of CF3–CH2F and CHF2–CHF2 have been obtained in the photon energy range 12–25 eV, the electrons and fragment ions being detected by a threshold electron analyser and a linear time-of-flight mass spectrometer, respectively. For the dissociation products of (CF3–CH2F+)* and (CHF2–CHF2+)* formed via a single-bond cleavage, the mean translational kinetic energy releases have been measured and compared with the predictions of statistical and pure-impulsive mechanisms. Ab initio G2 calculations have determined the minimum-energy geometries of CF3–CH2F and CHF2–CHF2 and their cations, and deduced the nature of the high-lying valence orbitals of both neutral molecules. Furthermore, enthalpies of formation at 298 K of both neutral molecules, and all the neutral and fragment ions observed by dissociative photoionisation have been calculated. Combining all experimental and theoretical data, the decay mechanisms of the ground and excited valence states of CF3–CH2F+ and CHF2–CHF2+ are discussed. The first and second excited states of both ions show some evidence for isolated-state behaviour, with fast dissociation by cleavage of a C–F or C–H bond and a relatively large translational energy released in the two fragments. The ground state of both ions dissociate by cleavage of the central C–C bond, with a much smaller translational energy release. Several fragment ions are observed which form via H-atom migration across the C–C bond; for hν > 18 eV, CH2F+ is even the dominant ion from dissociative photoionisation of CHF2–CHF2. New experimental values are determined for the enthalpy of formation at 298 K of CF3–CH2F (−905 ± 5 kJ mol−1) and CHF2–CHF2 (−861 ± 5 kJ mol−1), with upper limits being obtained for CF2–CH2F+ (⩽485 ± 7 kJ mol−1), CF2–CHF2+ (⩽324 ± 7 kJ mol−1) and CHF–CHF2+ (⩽469 ± 7 kJ mol−1).
相关文献
Large scale indium tin oxide (ITO) one dimensional gratings for ultrafast signal modulation in the visible spectral region
Michele Guizzardi, Silvio Bonfadini, Ilka Kriegel, Luigino Criante
DOI: 10.1039/C9CP06839B
Electronic structure, doping effect and topological signature in realistic intermetallics Li3−xNaxM (x = 3, 2, 1, 0; M = N, P, As, Sb, Bi)
Lei Jin, Xiaoming Zhang, Tingli He, Weizhen Meng, Xuefang Dai, Guodong Liu
DOI: 10.1039/C9CP06033B
Effects of local geometry distortion at the Al/Al2Cu interfaces on solute segregation
DOI: 10.1039/D0CP00067A
Synchrotron-based Mössbauer spectroscopy characterization of sublimated spin crossover molecules
Alberto Cini, Lorenzo Poggini, Alexander I. Chumakov, Rudolf Rüffer, Gabriele Spina, Alain Wattiaux, Mathieu Duttine, Mathieu Gonidec, Maria Fittipaldi, Patrick Rosa, Matteo Mannini
DOI: 10.1039/C9CP04464G
Electronic properties of bare and functionalized two-dimensional (2D) tellurene structures
Daniel Wines, Jaron A. Kropp, Gracie Chaney, Can Ataca
DOI: 10.1039/D0CP00357C
A phase-field model for the evaporation of thin film mixtures
Olivier J. J. Ronsin, DongJu Jang, Hans-Joachim Egelhaaf
DOI: 10.1039/D0CP00214C
Photoreductive dissolution of cerium oxide nanoparticles and their size-dependent absorption properties
Natasha W. Pettinger, Jennifer M. Empey, Sascha Fröbel, Bern Kohler
DOI: 10.1039/C9CP06579B
Surface plasmon resonance study of the interaction of N-methyl mesoporphyrin IX with G-quadruplex DNA
M. Perenon, H. Bonnet, T. Lavergne, J. Dejeu, E. Defrancq
DOI: 10.1039/C9CP06321H
Interfacial structure in the liquid–liquid extraction of rare earth elements by phosphoric acid ligands: a molecular dynamics study
Balarama Sridhar Dwadasi, Sriram Goverapet Srinivasan, Beena Rai
DOI: 10.1039/C9CP05719F
您可能还喜欢
如何处理含有顺-二(2,2'-联吡啶)二氯化钌(II)二水合物(CAS号:67776-38-9)的废料?
处理含有该化合物的废料时,应先收集并分类,然后根据其危险特性选择合适的处理方法。推荐采用焚烧或由专业机构进行安全处理,以确保符合环保法规的要求。处理过程中应佩戴...
4-amino-2-bromo-3-iodopyridine(CAS号:1300750-77-9)的市场或研究趋势如何?
4-氨基-2-溴-3-碘吡啶主要应用于药物合成和研究领域,尤其是在抗病毒和抗癌药物的研发中。随着新型药物的需求增加,该化合物的研究趋势较好。市场方面,由于其特殊...
4-乙酰基氨基-2-氨基-苯甲酸(CAS号:43134-76-5)的市场或研究趋势如何?
当前,4-乙酰基氨基-2-氨基-苯甲酸(CAS号:43134-76-5)在医药和化工领域有一定的应用。随着药物研发的进展,该化合物在新型药物设计中的应用可能增加...
庚a氟-1-(1-碘-1,2,2,2-四氟乙氧基)丙烷(CAS号:107432-46-2)的市场或研究趋势如何?
该化合物目前主要用于特定的工业应用,如氟聚合物的合成。市场趋势显示,由于其独特的结构和性能,未来可能在新型氟材料和特种化学品领域有更多的应用。研究趋势方面,主要...
在合成中是否有Propargyl-PEG13-bromide(CAS号:2055105-25-2)的替代品?
可以考虑使用1,3-丁二烯-1-炔-3-基-聚乙二醇-13-溴化物作为Propargyl-PEG13-bromide的替代品,因为两者在结构上相似,均可用于合成...
2-氨基-6-甲氧基嘌呤(CAS号:20535-83-5)安全吗?
2-氨基-6-甲氧基嘌呤在正常使用条件下相对安全,但在操作时仍需注意防护措施,如佩戴手套和护目镜,避免吸入或接触皮肤和眼睛。
2-甲基-3-溴苯乙酸乙酯(CAS号:1261862-72-9)适用哪些法规指南?
该化合物根据其化学性质和潜在危害,可能适用于GHS(全球化学品统一分类和标签制度)的分类标准。具体分类需依据其毒性和燃烧危险性进行评估。此外,欧洲化学品管理局(...
4,4-二甲基吡咯烷-3-羧酸盐酸盐(CAS号:1351343-41-3)应用于哪些行业?
4,4-二甲基吡咯烷-3-羧酸盐酸盐在医药、聚合物和传感器领域有应用。在医药领域,它可以作为某些药物的中间体;在聚合物领域,它可用作某些聚合物的稳定剂;在传感器...
处理5-Hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-6-yl 2-O-beta-D-xylopyranosyl-beta-D-glucopyranoside(CAS号:149998-39-0)时应注意哪些实验室安全事项?
处理该化合物时应注意使用个人防护装备(如手套、护目镜和实验服),在通风橱中操作。避免直接接触皮肤和吸入,泄漏时应立即清理并使用适当的吸收材料。参考安全数据表(S...
7-甲基-1,2,3,4-四氢-吖啶-9-甲酸(CAS号:345621-27-4)的市场或研究趋势如何?
该化合物在医药研究中具有潜在应用价值,特别是在抗癌药物研发方面。随着研究的深入,对其合成方法的优化和生物活性的进一步探索将成为研究热点。
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.












![L-Threonine, N-[[4,7,10-tris(carboxymethyl)-1,4,7,10-tetraazacyclododec-1-yl]acetyl]-D-phenylalanyl-L-cysteinyl-L-tyrosyl-D-tryptophyl-L-lysyl-L-threonyl-L-cysteinyl-, cyclic (2→7)-disulfide, acetate (salt) (9CI) structure L-Threonine, N-[[4,7,10-tris(carboxymethyl)-1,4,7,10-tetraazacyclododec-1-yl]acetyl]-D-phenylalanyl-L-cysteinyl-L-tyrosyl-D-tryptophyl-L-lysyl-L-threonyl-L-cysteinyl-, cyclic (2→7)-disulfide, acetate (salt) (9CI) structure](https://cnstatic.chemtradehub.com/structs/177/177943-89-4-6312.webp)

