Anion clusters of naphthalene and solvents: structure, ion core, and intermolecular interactions
文献信息
Sang Hak Lee, Jeong Hyun Kim, Inho Chu, Jae Kyu Song
We carried out a comparative study on the anion clusters of naphthalene with various solvents to understand the nature of intermolecular interactions involving an aromatic anion. Photoelectron spectra of mass-selected naphthalene anion clusters, (Np)1−(Sol)n (Sol = benzene, naphthalene, water, and acetone), were obtained, from which the electron affinities were estimated. The electron affinities were significantly different from the vertical detachment energies due to the geometry difference between the neutral and anion clusters along intermolecular coordinates. Theoretical calculations showed that the most stable structure of the naphthalene–acetone anion cluster tends to be a T-shaped geometry because the intermolecular interaction is dominated by π–hydrogen bonding. With the attachment of a second solvent, solvent–solvent interaction was found to compete with ion–solvent interaction for the stable geometries of the anion clusters.
相关文献
A theoretical study of complexes formed between cations and curved aromatic systems: electrostatics does not always control cation–π interaction
Jorge A. Carrazana-García, Enrique M. Cabaleiro-Lago, Jesús Rodríguez-Otero
DOI: 10.1039/C7CP01491K
Electrochemical reduction of CO2 on graphene supported transition metals – towards single atom catalysts
Haiying He, Yesukhei Jagvaral
DOI: 10.1039/C7CP00915A
Exploring surface landscapes with molecules: rotationally induced diffraction of H2 on LiF(001) under fast grazing incidence conditions
M. del Cueto, A. S. Muzas, M. F. Somers, G. J. Kroes
DOI: 10.1039/C7CP02904G
Growth of low doped monolayer graphene on SiC(0001) via sublimation at low argon pressure
Périne Landois, Tianlin Wang, Abir Nachawaty, Maxime Bayle, Jean-Manuel Decams, Wilfried Desrat, Ahmed-Azmi Zahab, Benoît Jouault, Matthieu Paillet, Sylvie Contreras
DOI: 10.1039/C7CP01012E
Multichromophoric hybrid species made of perylene bisimide derivatives and Ru(ii) and Os(ii) polypyridine subunits
Francesco Nastasi, Giuseppina La Ganga, Sebastiano Campagna, Zois Syrgiannis, Francesco Rigodanza, Stefania Vitale, Antonino Licciardello
DOI: 10.1039/C7CP01597F
Unusual molecular mechanism behind the thermal response of polypeptoids in aqueous solutions
Jianbo Ma, Sunting Xuan, Abby C. Guerin, Tianyi Yu, Donghui Zhang, Daniel G. Kuroda
DOI: 10.1039/C6CP08536A
Back-exchange: a novel approach to quantifying oxygen diffusion and surface exchange in ambient atmospheres
Samuel J. Cooper, Mathew Niania, Franca Hoffmann, John A. Kilner
DOI: 10.1039/C7CP01317E
Molecular dynamics simulations of solvent-exfoliation and stabilization of graphene with the assistance of compressed carbon dioxide and pyrene–polyethylene glycol
Xiaodan Xu, Lu Cai, Xiaoli Zheng, Qun Xu
DOI: 10.1039/C7CP01277B
pH-Dependent absorption spectrum of a protein: a minimal electrostatic model of Anabaena sensory rhodopsin
Michael Stenrup, Elisa Pieri, Vincent Ledentu, Nicolas Ferré
DOI: 10.1039/C7CP00991G
Acceptor doping in the proton conductor SrZrO3
Leigh Weston, A. Janotti, X. Y. Cui, C. Stampfl, C. G. Van de Walle
DOI: 10.1039/C7CP01471F
您可能还喜欢
4-[[6-(3-苯基苯基)-7H-嘌呤-2-基]氨基]苯磺酰胺(CAS号:2079895-42-2)适用哪些法规指南?
该化合物需遵循REACH法规以确保其安全使用和管理。同时,根据其潜在的生物降解性和毒性,也需要符合GHS分类中的相应要求。此外,若用于医药或食品相关领域,则还需...
反式-度骨化醇(CAS号:74007-20-8)的物理化学性质是什么?
反式-度骨化醇是一种脂溶性维生素D3的衍生物,呈无色或白色结晶性粉末,不溶于水,溶于乙醇、丙酮、氯仿等有机溶剂。其分子式为C28H44O,分子量为404.65。...
莲花掌苷(CAS号:59282-56-3)的市场或研究趋势如何?
莲花掌苷作为一种天然产物,近年来在抗炎、抗癌等生物活性研究方面显示出一定的潜力,因此市场需求逐渐增长。市场动态方面,随着天然产物开发的深入,预计该化合物的研究会...
2-溴-6-(吡咯烷-1-基)吡啶-4-硼酸频那醇酯(CAS号:1150271-64-9)应用于哪些行业?
2-溴-6-(吡咯烷-1-基)吡啶-4-硼酸频那醇酯在医药领域有着广泛的应用,它可以用作药物合成中的中间体。此外,它还可以用于有机合成,特别是在构建复杂杂环化合...
什么是methyl 2-(4-bromophenyl)-3-methylbutanoate(CAS号:1061284-70-5)?
methyl 2-(4-溴苯基)-3-甲基丁酸甲酯是一种化学物质,分子式为C12H13BrO2。它是一种有机化合物,具有一定的挥发性和易燃性。
CJC1-295(CAS号:863288-34-0)的物理化学性质是什么?
CJC1-295是一种具有复杂肽链结构的化合物,其分子量约为1875 Da。该化合物在水中具有一定的溶解性,但在有机溶剂中的溶解性不佳。它是一种反应活性化合物,...
三正丁基锍碘(CAS号:18146-62-8)的市场或研究趋势如何?
三正丁基锍碘作为一种重要的有机硫化合物,主要用于有机合成中作为亲电试剂。近年来,由于其在合成中的广泛应用,市场对其需求持续增长。此外,随着绿色化学的发展,对其替...
雌二醇-[13C3]同位素内标(CAS号:1261254-48-1)通常如何合成?
雌二醇-[13C3]同位素内标通常通过在雌二醇分子中引入[13C3]同位素来合成。常见的方法是通过化学标记反应,如与[13C3]标记的甲基溴化物进行亲核取代反应...
N1-(2-吡啶甲基)-N2-(2-甲基-1-萘基)草酰胺(CAS号:2611225-93-3)的物理化学性质是什么?
N1-(2-吡啶甲基)-N2-(2-甲基-1-萘基)草酰胺为固体化合物,具有良好的结晶形态,分子量为340.34 g/mol。该化合物在水中的溶解度较低,但在有...
如何处理含有十五碳烯酸甲酯(顺-10)(C15:1)标准品(CAS号:90176-52-6)的废料?
含有十五碳烯酸甲酯(顺-10)(C15:1)标准品的废料应首先进行适当收集和储存,避免与其他化学品混合。然后,可采用焚烧或交由专业废物处理公司进行处理。处理过程...
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.














![[4-Amino-2-(methylsulfanyl)-5-pyrimidinyl]methanol structure [4-Amino-2-(methylsulfanyl)-5-pyrimidinyl]methanol structure](https://cnstatic.chemtradehub.com/structs/588/588-36-3-fc73.webp)