Characterisation of the electronic structure of some stable nitroxyl radicals using variable energy photoelectron spectroscopy
文献信息
Branka Kovač, Ivan Ljubić, Antti Kivimäki, Marcello Coreno, Igor Novak
The photoionization of three stable nitroxyl radicals has been studied in the valence and core regions using synchrotron radiation. We observed different variations of the relative band intensities with the photon energy for two pyrrolidine nitroxyls (nitroxyl8 and nitroxyl9) in the valence ionization region. This is due to strong intramolecular interactions between the amide substituent and the ring π-orbital when present. In the core ionization region we observed chemical shifts which were consistent with the relative electron affinities of different atoms. We also observed the multiplet splitting of core level binding energies in the final ionic states. The core electron binding energies calculated via the restricted open shell Hartree–Fock based ΔSCF method exhibit good agreement with the experimental core ionization bands and with the assignment of the spectra by empirical analysis.
期刊推荐

Topics in Catalysis

Polycyclic Aromatic Compounds

NDT & E International

Acta Metallurgica Sinica-English Letters

Bioorganic & Medicinal Chemistry

Biocatalysis and Biotransformation

Bioorganic & Medicinal Chemistry Letters

Medicinal Chemistry Research

Chinese Journal of Chemistry

Critical Reviews in Solid State and Materials Sciences
相关文献
Gold-catalyzed diversified synthesis of 3-aminosugar analogues of digitoxin and digoxin
Jing Zeng, Guangfei Sun, Ruobin Wang, Shuxin Zhang, Shuang Teng, Zhiwen Liao, Lingkui Meng
DOI: 10.1039/C7QO00648A
Iron-catalyzed boration of allylic esters: an efficient approach to allylic boronates
Yuhan Zhou, Huan Wang, Yang Liu, Yilong Zhao, Chunxia Zhang, Jingping Qu
DOI: 10.1039/C7QO00228A
Organocopper triggered cyclization of conjugated dienynes via tandem SN2′/Alder-ene reaction
Tanzeel Arif, Cyril Borie, Marion Jean, Nicolas Vanthuyne, Michèle P. Bertrand, Didier Siri, Malek Nechab
DOI: 10.1039/C7QO00288B
Rapid construction of the 6/6/5 tricyclic framework via a tandem radical cyclization reaction and its application to the synthesis of 5-epi-7-deoxy-isoabietenin A
Hao Zhang, Shiqiang Ma, Zhimin Xing, Lin Liu, Bowen Fang, Xingang Xie
DOI: 10.1039/C7QO00550D
Sodium nitrite-promoted aerobic oxidative coupling of aryl methyl ketones with ammonium under metal-free conditions: a facile access to polysubstitution imidazoles
Cheng-Kou Liu, Zhao Yang, Yu Zeng, Zheng Fang, Bo Li
DOI: 10.1039/C7QO00247E
Metal-free phosphonation of benzoxazoles and benzothiazoles under oxidative conditions
Jiuhan Gong, Ling Huang, Qidu Deng, Kun Jie, Yufeng Wang, Shengmei Guo, Hu Cai
DOI: 10.1039/C7QO00318H
Efficient synthesis of 2-substituted azoles: radical C–H alkylation of azoles with dicumyl peroxide, methylarenes and cycloalkanes under metal-free condition
Ze-lin Li, Li-kun Jin, Chun Cai
DOI: 10.1039/C7QO00396J
Photoredox catalytic intramolecular imine C–H bond functionalization using ligand free Cu(ii) salts
Xuhong Ren, Qiyang Wang, Wenjia Yu, Xiaoyu Zhan, Yishan Yao, Bingjie Qin, Mingxin Dong, Xinhua He
DOI: 10.1039/C7QO00348J
Transition-metal-free dehydrogenation coupling of pyridinium through a self-promoted hydride transfer process
Yuzhen Ding, Zhiqiang Pan, Xiaogang Tong
DOI: 10.1039/C7QO00389G
您可能还喜欢
如何储存8-溴-4-羟基-6-(三氟甲氧基)喹啉-3-羧酸乙酯(CAS号:1072944-81-0)?
8-溴-4-羟基-6-(三氟甲氧基)喹啉-3-羧酸乙酯应储存在阴凉、干燥的地方,避免光照和高温。建议使用密封容器进行储存,以防止水分和空气的影响。
2,2-二(2-呋喃基)丙烷(CAS号:17920-88-6)的市场或研究趋势如何?
2,2-二(2-呋喃基)丙烷的研究趋势主要集中在新型材料的开发和应用,如高分子材料、有机光电材料等。市场趋势方面,随着环保要求的提高和新材料的应用,该化合物的需...
如何处理含有螺[呋喃并[3,4-b]吡啶-5(7H),4'-哌啶]-7-酮盐酸盐(CAS号:475152-31-9)的废料?
对于含有螺[呋喃并[3,4-b]吡啶-5(7H),4'-哌啶]-7-酮盐酸盐的废料,应首先进行分类和分离,以减少危险物质的数量。随后,可以考虑通过化学氧化、生物...
Cinnamyl 3-aminobut-2-enoate(CAS号:113898-97-8)安全吗?
Cinnamyl 3-氨基丁-2-烯酸在接触皮肤和眼睛时可能会引起刺激。应避免吸入其粉尘和烟雾。操作时应穿戴适当的个人防护装备,如手套、护目镜和实验室外套。
反式-2-十二碳烯二酸(CAS号:6402-36-4)的市场或研究趋势如何?
反式-2-十二碳烯二酸在医药、材料科学等领域有一定的应用,但其市场相对较小。近年来,由于环保意识的提升,对环境友好型化学品的需求增加,研究倾向于开发更绿色的合成...
什么是(9ci)-1H-苯并咪唑-5-乙酸(CAS号:473895-86-2)?
(9ci)-1H-苯并咪唑-5-乙酸是一种含氮杂环化合物,其化学结构为1H-苯并咪唑-5-乙酸。该化合物具有特定的分子式C8H7NO2,属于有机酸类化合物。
酞菁蓝(CAS号:147-14-8)的主要用途是什么?
酞菁蓝主要用作颜料和染料,广泛应用于塑料、油墨、涂料、纺织品及橡胶工业中。它也用于光敏材料,如太阳能电池和光刻胶。在医疗领域,酞菁蓝因其光敏特性被用于某些光动力...
5-甲基-1,2,3,4-四氢异喹啉(CAS号:123593-99-7)安全吗?
5-甲基-1,2,3,4-四氢异喹啉在使用和储存时需要谨慎处理。它具有一定的毒性,应避免吸入其蒸气或直接接触皮肤和眼睛。操作此化合物时,建议佩戴防护眼镜、实验服...
如何处理含有3',4',5'-三甲氧基苯乙酮(CAS号:1136-86-3)的废料?
含有3',4',5'-三甲氧基苯乙酮的废液应首先确保其是否为危险废物,根据当地法规确定处理方法。通常,这类有机废液可以采用中和反应降低其pH值,然后通过蒸馏或萃...
如何储存KI-7(CAS号:1489263-00-4)?
KI-7应储存在通风良好的干燥环境中,避免光照和高温。建议使用密封容器储存,并保持在阴凉处。储存温度应控制在室温范围内,一般建议不超过25°C。避免与氧化剂接触...
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.
![S-[2,3-Bis(palmitoyloxy)propyl]-N-[(9H-fluoren-9-ylmethoxy)(hydroxy)methylene]cysteine structure S-[2,3-Bis(palmitoyloxy)propyl]-N-[(9H-fluoren-9-ylmethoxy)(hydroxy)methylene]cysteine structure](https://cnstatic.chemtradehub.com/structs/210/210532-98-2-f6a7.webp)
![N-[2-(4-Hydroxyphenoxy)-4-nitrophenyl]methanesulfonamide structure N-[2-(4-Hydroxyphenoxy)-4-nitrophenyl]methanesulfonamide structure](https://cnstatic.chemtradehub.com/structs/109/109032-22-6-7c88.webp)


