弱氢键:来自振动光谱研究的见解

IF 2.5 2区 化学 Q3 CHEMISTRY, PHYSICAL International Reviews in Physical Chemistry Pub Date : 2018-01-02 DOI:10.1080/0144235X.2018.1419731
P. Banerjee, T. Chakraborty
{"title":"弱氢键:来自振动光谱研究的见解","authors":"P. Banerjee, T. Chakraborty","doi":"10.1080/0144235X.2018.1419731","DOIUrl":null,"url":null,"abstract":"Abstract The review presents a critical analysis of the data obtained from vibrational spectroscopic studies on a narrow selection of weak hydrogen-bonded binary molecular complexes for measurements performed under isolated conditions, addressing the nature, properties, physical origins of the binding forces, and the role of such hydrogen bonds in dynamics of vibrational relaxations. In the recent history of studies of chemical bonding, hydrogen bond certainly occupies the centre stage. Although the bottom line of our knowledge for structure of hydrogen bonded systems is based on crystallographic data, it is well recognised that the constrained environment of a molecular crystal seriously perturbs the shallow interaction potentials of hydrogen bonds, and particularly their weaker variants. Binary complexes of different categories of molecular prototypes are the most convenient systems to look into the attributes and role played by the weak hydrogen bonds in promoting a chemically significant event. A variety of weak hydrogen bonded binary complexes, having mostly two types of binding motifs, CH··O and OH⋯π, have been considered for this review. The vital molecular parameter that has been primarily considered in the present analysis is the hydrogen bond induced spectral shift (ΔνΧ-Η) of the stretching vibrational fundamental of the donor group (X–H), for measurements performed in inert gas matrixes and also in the gas phase. The changes in infrared spectral band shapes of νX–H transitions have been considered to suggest the influence of the hydrogen bond in vibrational dynamics of the excited X–H stretching mode. Attempts are made to correlate the observed spectral shifts in homologous series of complexes for a particular binding motif with different energetic and electronic structure parameters, and those correlations have been used to get insights into the underlying molecular interactions and origin of vibrational spectral shifts. The other vital parameters of binary molecular complexes are the low-frequency intermolecular vibrations, which appear typically in terahertz range of the electromagnetic spectrum. A brief analysis of the available data for weak hydrogen bonded complexes, obtained by employing LIF spectroscopic method, is presented, and information obtained from complementary spectroscopic methods, like far-infrared absorption, are discussed. The spectral data presented are mostly from the published work of the authors.","PeriodicalId":54932,"journal":{"name":"International Reviews in Physical Chemistry","volume":null,"pages":null},"PeriodicalIF":2.5000,"publicationDate":"2018-01-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"19","resultStr":"{\"title\":\"Weak hydrogen bonds: insights from vibrational spectroscopic studies\",\"authors\":\"P. Banerjee, T. Chakraborty\",\"doi\":\"10.1080/0144235X.2018.1419731\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"Abstract The review presents a critical analysis of the data obtained from vibrational spectroscopic studies on a narrow selection of weak hydrogen-bonded binary molecular complexes for measurements performed under isolated conditions, addressing the nature, properties, physical origins of the binding forces, and the role of such hydrogen bonds in dynamics of vibrational relaxations. In the recent history of studies of chemical bonding, hydrogen bond certainly occupies the centre stage. Although the bottom line of our knowledge for structure of hydrogen bonded systems is based on crystallographic data, it is well recognised that the constrained environment of a molecular crystal seriously perturbs the shallow interaction potentials of hydrogen bonds, and particularly their weaker variants. Binary complexes of different categories of molecular prototypes are the most convenient systems to look into the attributes and role played by the weak hydrogen bonds in promoting a chemically significant event. A variety of weak hydrogen bonded binary complexes, having mostly two types of binding motifs, CH··O and OH⋯π, have been considered for this review. The vital molecular parameter that has been primarily considered in the present analysis is the hydrogen bond induced spectral shift (ΔνΧ-Η) of the stretching vibrational fundamental of the donor group (X–H), for measurements performed in inert gas matrixes and also in the gas phase. The changes in infrared spectral band shapes of νX–H transitions have been considered to suggest the influence of the hydrogen bond in vibrational dynamics of the excited X–H stretching mode. Attempts are made to correlate the observed spectral shifts in homologous series of complexes for a particular binding motif with different energetic and electronic structure parameters, and those correlations have been used to get insights into the underlying molecular interactions and origin of vibrational spectral shifts. The other vital parameters of binary molecular complexes are the low-frequency intermolecular vibrations, which appear typically in terahertz range of the electromagnetic spectrum. A brief analysis of the available data for weak hydrogen bonded complexes, obtained by employing LIF spectroscopic method, is presented, and information obtained from complementary spectroscopic methods, like far-infrared absorption, are discussed. The spectral data presented are mostly from the published work of the authors.\",\"PeriodicalId\":54932,\"journal\":{\"name\":\"International Reviews in Physical Chemistry\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":2.5000,\"publicationDate\":\"2018-01-02\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"19\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"International Reviews in Physical Chemistry\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://doi.org/10.1080/0144235X.2018.1419731\",\"RegionNum\":2,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q3\",\"JCRName\":\"CHEMISTRY, PHYSICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"International Reviews in Physical Chemistry","FirstCategoryId":"92","ListUrlMain":"https://doi.org/10.1080/0144235X.2018.1419731","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
引用次数: 19

摘要

摘要:本文对在孤立条件下进行测量的微弱氢键二元分子络合物的振动光谱研究所获得的数据进行了批判性分析,讨论了结合力的性质、性质、物理来源以及这些氢键在振动弛豫动力学中的作用。在近代化学键的研究中,氢键无疑占据了中心位置。虽然我们对氢键系统结构的知识的底线是基于晶体学数据,但众所周知,分子晶体的约束环境严重扰乱了氢键的浅层相互作用势,特别是它们的弱变体。不同类型分子原型的二元配合物是研究弱氢键在促进化学重大事件中的属性和作用的最方便的体系。多种弱氢键二元配合物,主要具有两种类型的结合基序,CH·O和OH⋯π,已被考虑用于本综述。在本分析中主要考虑的重要分子参数是氢键引起的施主基团(X-H)拉伸振动基的谱移(ΔνΧ-Η),用于惰性气体基质和气相中进行的测量。νX-H跃迁的红外光谱带形状的变化被认为是氢键对激发X-H拉伸模式振动动力学的影响。我们试图将观察到的特定结合基序的同源系列配合物的光谱位移与不同的能量和电子结构参数相关联,并利用这些相关性来深入了解潜在的分子相互作用和振动光谱位移的起源。二元分子复合物的其他重要参数是低频分子间振动,通常出现在太赫兹电磁波谱范围内。本文简要分析了利用LIF光谱方法获得的弱氢键配合物的现有数据,并讨论了利用互补光谱方法(如远红外吸收)获得的信息。所提供的光谱数据大多来自作者已发表的论文。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
查看原文
分享 分享
微信好友 朋友圈 QQ好友 复制链接
本刊更多论文
Weak hydrogen bonds: insights from vibrational spectroscopic studies
Abstract The review presents a critical analysis of the data obtained from vibrational spectroscopic studies on a narrow selection of weak hydrogen-bonded binary molecular complexes for measurements performed under isolated conditions, addressing the nature, properties, physical origins of the binding forces, and the role of such hydrogen bonds in dynamics of vibrational relaxations. In the recent history of studies of chemical bonding, hydrogen bond certainly occupies the centre stage. Although the bottom line of our knowledge for structure of hydrogen bonded systems is based on crystallographic data, it is well recognised that the constrained environment of a molecular crystal seriously perturbs the shallow interaction potentials of hydrogen bonds, and particularly their weaker variants. Binary complexes of different categories of molecular prototypes are the most convenient systems to look into the attributes and role played by the weak hydrogen bonds in promoting a chemically significant event. A variety of weak hydrogen bonded binary complexes, having mostly two types of binding motifs, CH··O and OH⋯π, have been considered for this review. The vital molecular parameter that has been primarily considered in the present analysis is the hydrogen bond induced spectral shift (ΔνΧ-Η) of the stretching vibrational fundamental of the donor group (X–H), for measurements performed in inert gas matrixes and also in the gas phase. The changes in infrared spectral band shapes of νX–H transitions have been considered to suggest the influence of the hydrogen bond in vibrational dynamics of the excited X–H stretching mode. Attempts are made to correlate the observed spectral shifts in homologous series of complexes for a particular binding motif with different energetic and electronic structure parameters, and those correlations have been used to get insights into the underlying molecular interactions and origin of vibrational spectral shifts. The other vital parameters of binary molecular complexes are the low-frequency intermolecular vibrations, which appear typically in terahertz range of the electromagnetic spectrum. A brief analysis of the available data for weak hydrogen bonded complexes, obtained by employing LIF spectroscopic method, is presented, and information obtained from complementary spectroscopic methods, like far-infrared absorption, are discussed. The spectral data presented are mostly from the published work of the authors.
求助全文
通过发布文献求助,成功后即可免费获取论文全文。 去求助
来源期刊
CiteScore
14.20
自引率
1.60%
发文量
5
审稿时长
1 months
期刊介绍: International Reviews in Physical Chemistry publishes review articles describing frontier research areas in physical chemistry. Internationally renowned scientists describe their own research in the wider context of the field. The articles are of interest not only to specialists but also to those wishing to read general and authoritative accounts of recent developments in physical chemistry, chemical physics and theoretical chemistry. The journal appeals to research workers, lecturers and research students alike.
期刊最新文献
Theoretical studies of cycloaddition reactions involving C − C triple bonds Three-body recombination in physical chemistry Vibrational and structural dynamics of graphyne Fundamental photophysical concepts and key structural factors for the design of BODIPY-based tunable lasers Heavy Rydberg and ion-pair states: chemistry, spectroscopy and theory
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
现在去查看 取消
×
提示
确定
0
微信
客服QQ
Book学术公众号 扫码关注我们
反馈
×
意见反馈
请填写您的意见或建议
请填写您的手机或邮箱
已复制链接
已复制链接
快去分享给好友吧!
我知道了
×
扫码分享
扫码分享
Book学术官方微信
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术
文献互助 智能选刊 最新文献 互助须知 联系我们:info@booksci.cn
Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。
Copyright © 2023 Book学术 All rights reserved.
ghs 京公网安备 11010802042870号 京ICP备2023020795号-1