International Reviews in Physical Chemistry最新文献

Theoretical studies of cycloaddition reactions involving C − C triple bonds 涉及 C - C 三键的环化反应的理论研究

IF 6.1 2区化学

International Reviews in Physical Chemistry Pub Date : 2024-02-19 DOI: 10.1080/0144235x.2024.2313879

Nouhaila Bahyoune, Luis R. Domingo, Latifa Bouissane

引用次数: 0

Vibrational and structural dynamics of graphyne 石墨炔的振动和结构动力学

IF 6.1 2区化学

International Reviews in Physical Chemistry Pub Date : 2022-10-02 DOI: 10.1080/0144235X.2022.2218153

Juan Zhao, Jianping Wang

{"title":"Vibrational and structural dynamics of graphyne","authors":"Juan Zhao, Jianping Wang","doi":"10.1080/0144235X.2022.2218153","DOIUrl":"https://doi.org/10.1080/0144235X.2022.2218153","url":null,"abstract":"Graphyne (GYs) is a class of 2D carbon allotropes with highly π-conjugated structure consisting of sp- and sp 2-hybridized carbon atoms, leading to unique molecular configuration and electronic structure, showing excellent electrical, mechanical, photoelectric and semiconducting properties, and having great potentials in gas–separation, chemical-reaction catalysis, energy–storage, and sensor applications. GYs can be classified into several structural forms, including graphdiyne (GDY) and graphtriyne (GTY). Structural characterisation is crucial for understanding the relationship between their structure and properties. At present, quite a few experimental methods, including scanning electron microscopy, transmission electron microscopy, X-ray diffraction, X-ray photoelectron spectroscopy, nuclear magnetic resonance, infrared and Raman spectroscopies, have been used to characterise the structure of GYs. This review focuses on the structural and vibrational characterisations of GYs using Infrared (IR) and Raman spectroscopies. The vibrational signature, including linear and nonlinear IR characteristics of the periodically appearing bond, will be reviewed. The intensity enhanced stretching mode as an IR marker in monitoring vibrational energy redistribution and transfer in GYs will be discussed. This review will shed light on the understanding of the structures and structural distributions, and vibrational energy-transfer pathways of the GY systems, which are important for their design, fabrication and applications.","PeriodicalId":54932,"journal":{"name":"International Reviews in Physical Chemistry","volume":null,"pages":null},"PeriodicalIF":6.1,"publicationDate":"2022-10-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"86669443","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Three-body recombination in physical chemistry 物理化学中的三体重组

IF 6.1 2区化学

International Reviews in Physical Chemistry Pub Date : 2022-10-02 DOI: 10.1080/0144235X.2023.2237300

M. Mirahmadi, J. P'erez-R'ios

引用次数: 1

Heavy Rydberg and ion-pair states: chemistry, spectroscopy and theory 重里德伯和离子对态:化学、光谱学和理论

IF 6.1 2区化学

International Reviews in Physical Chemistry Pub Date : 2022-04-03 DOI: 10.1080/0144235X.2022.2077024

R. Donovan, A. Kirrander, K. Lawley

{"title":"Heavy Rydberg and ion-pair states: chemistry, spectroscopy and theory","authors":"R. Donovan, A. Kirrander, K. Lawley","doi":"10.1080/0144235X.2022.2077024","DOIUrl":"https://doi.org/10.1080/0144235X.2022.2077024","url":null,"abstract":"Recent advances in our knowledge of heavy Rydberg and ion-pair states are critically reviewed, with emphasis placed on the close kinship between the two. Heavy Rydberg states are long-range vibrational states, reaching far beyond Å for higher levels. Enhanced chemical reactivity and efficient energy transfer are frequently encountered. Unusual physical properties result from the large dipole moments, including laser-induced reactions and amplified spontaneous emission, and are discussed in the context of the underlying electronic structure. Heavy Rydberg states have a rich spectroscopy which is amenable to quantum defect analysis, as illustrated for a wide range of UV and VUV spectra previously analyzed in terms of Dunham coefficients. The lifetimes of heavy Rydberg states can be long, enabling them to be isolated in cryogenic matrices or as high angular momentum states in the gas phase. Heavy Rydberg and electronic Rydberg states often occupy the same energy region and this, together with the high density of heavy Rydberg vibrational levels, leads to vibronic mixing and numerous perturbations that are a fertile field for analysis by multichannel quantum defect theory and reactive scattering calculations.","PeriodicalId":54932,"journal":{"name":"International Reviews in Physical Chemistry","volume":null,"pages":null},"PeriodicalIF":6.1,"publicationDate":"2022-04-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"89348736","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Fundamental photophysical concepts and key structural factors for the design of BODIPY-based tunable lasers 基于bodip的可调谐激光器设计的基本光物理概念和关键结构因素

IF 6.1 2区化学

International Reviews in Physical Chemistry Pub Date : 2022-04-03 DOI: 10.1080/0144235X.2022.2096772

E. Avellanal‐Zaballa, L. Gartzia‐Rivero, T. Arbeloa, J. Bañuelos

{"title":"Fundamental photophysical concepts and key structural factors for the design of BODIPY-based tunable lasers","authors":"E. Avellanal‐Zaballa, L. Gartzia‐Rivero, T. Arbeloa, J. Bañuelos","doi":"10.1080/0144235X.2022.2096772","DOIUrl":"https://doi.org/10.1080/0144235X.2022.2096772","url":null,"abstract":"This review aims to highlight the most recent and remarkable advances in our laboratory in designing efficient and long-lasting tunable dye lasers from the visible green region to the far-red-NIR edge. In recent years, we have synthesised, characterised, and applied a set of organic molecules covering this spectral region. The well-known BODIPY dye was selected as the photoactive scaffold owing to its rich and versatile chemistry. This modern dye allows deep and selective functionalization, which in turn modulates its photophysical properties. A deep understanding of the interplay between the molecular structure and photonic performance, as well as the unravelling of the key underlying photophysical mechanisms, is essential for designing photoactive dyes endowed with improved laser performance, outperforming the corresponding commercially available dyes in each spectral region. The design was focused on the chemical modification of the boron-dipyrrin core, as well as on the combination of dissimilar BODIPYs into a single molecular structure. Indeed, these complex and challenging multichromophoric assemblies exemplify a new generation of laser dyes with enhanced photonic performance. Following that, we provide an overview of the main structural and photophysical guidelines governing laser performance.","PeriodicalId":54932,"journal":{"name":"International Reviews in Physical Chemistry","volume":null,"pages":null},"PeriodicalIF":6.1,"publicationDate":"2022-04-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"85848918","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 5

Distinct class of photoinduced hydrogen-atom-transfer processes: phototautomerizations in molecules with no intramolecular hydrogen bond in the structure 不同类型的光诱导氢原子转移过程:结构中没有分子内氢键的分子中的光自变性

IF 6.1 2区化学

International Reviews in Physical Chemistry Pub Date : 2022-01-02 DOI: 10.1080/0144235x.2022.2030613

L. Lapinski, H. Rostkowska, M. J. Nowak

引用次数: 1

HeH2+: structure and dynamics HeH2+:结构和动力学

IF 6.1 2区化学

International Reviews in Physical Chemistry Pub Date : 2022-01-02 DOI: 10.1080/0144235x.2022.2037883

S. Adhikari, Michaela Baer, N. Sathyamurthy

引用次数: 1

The kinetics of X + H2 reactions (X = C(1D), N(2D), O(1D), S(1D)) at low temperature: recent combined experimental and theoretical investigations 低温下X + H2反应(X = C(1D)， N(2D)， O(1D)， S(1D))的动力学:最新的实验和理论结合研究

IF 6.1 2区化学

International Reviews in Physical Chemistry Pub Date : 2021-10-02 DOI: 10.1080/0144235X.2021.1976927

K. Hickson, P. Larrégaray, L. Bonnet, T. González-Lezana

引用次数: 0

Intermolecular interactions in cluster anions 簇阴离子中的分子间相互作用

IF 6.1 2区化学

International Reviews in Physical Chemistry Pub Date : 2021-10-02 DOI: 10.1080/0144235X.2021.1983292

A. Sanov

引用次数: 2

The attochemistry of chemical bonding 化学键合的原子化学

IF 6.1 2区化学

International Reviews in Physical Chemistry Pub Date : 2021-07-03 DOI: 10.1080/0144235X.2021.1976499

S. Bag, Sankhabrata Chandra, J. Ghosh, A. Bera, E. Bernstein, A. Bhattacharya

{"title":"The attochemistry of chemical bonding","authors":"S. Bag, Sankhabrata Chandra, J. Ghosh, A. Bera, E. Bernstein, A. Bhattacharya","doi":"10.1080/0144235X.2021.1976499","DOIUrl":"https://doi.org/10.1080/0144235X.2021.1976499","url":null,"abstract":"Traditionally, over the last century, approaches used to elucidate the ‘static’ and the ‘dynamic’ nature of chemical bonding have been fundamentally different. The ‘static’ nature of chemical bonding has been explored using either valence bond or molecular orbital theory with the time-independent atomic or molecular orbitals. The ‘dynamic’ nature of chemical bonding, on the other hand, has been explored under the name ‘chemical dynamics’ through the notion of a transition state (rearrangement of nuclei). Understanding of the ‘dynamic’ nature of chemical bonding could, however, be developed through a time-dependent change of atomic and molecular orbitals (or broadly the time-dependent electron density). In the present review article, we have presented our state-of-the-art understanding of attosecond dynamics of chemical bonding from a general chemical point of view. We have demonstrated our viewpoints on dynamics of covalent and noncovalent bonds using both time-dependent natural bond orbital and canonical molecular orbitals. Finally, we have demonstrated the efficacy of high harmonic generation spectroscopic investigation to decipher attosecond charge migration through noncovalent bonds. Several chemically important systems, in which attosecond dynamics can play an important role, are discussed.","PeriodicalId":54932,"journal":{"name":"International Reviews in Physical Chemistry","volume":null,"pages":null},"PeriodicalIF":6.1,"publicationDate":"2021-07-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"78771261","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 1