固态核磁共振中的相互作用框架:化学偏移选择性辐照方案的案例研究

IF 1.8 3区 化学 Q4 CHEMISTRY, PHYSICAL Solid state nuclear magnetic resonance Pub Date : 2022-12-01 DOI:10.1016/j.ssnmr.2022.101834
Matías Chávez, Matthias Ernst
{"title":"固态核磁共振中的相互作用框架:化学偏移选择性辐照方案的案例研究","authors":"Matías Chávez,&nbsp;Matthias Ernst","doi":"10.1016/j.ssnmr.2022.101834","DOIUrl":null,"url":null,"abstract":"<div><p>Interaction frames play an important role in describing and understanding experimental schemes in magnetic resonance. They are often used to eliminate dominating parts of the spin Hamiltonian, e.g., the Zeeman Hamiltonian in the usual (Zeeman) rotating frame, or the radio-frequency-field (rf) Hamiltonian to describe the efficiency of decoupling or recoupling sequences. Going into an interaction frame can also make parts of a time-dependent Hamiltonian time independent like the rf-field Hamiltonian in the usual (Zeeman) rotating frame. Eliminating the dominant term often allows a better understanding of the details of the spin dynamics. Going into an interaction frame can also reduces the energy-level splitting in the Hamiltonian leading to a faster convergence of perturbation expansions, average Hamiltonian, or Floquet theory. Often, there is no obvious choice of the interaction frame to use but some can be more convenient than others. Using the example of frequency-selective dipolar recoupling, we discuss the differences, advantages, and disadvantages of different choices of interaction frames. They always include the complete radio-frequency Hamiltonian but can also contain the chemical shifts of the spins and may or may not contain the effective fields over one cycle of the pulse sequence.</p></div>","PeriodicalId":21937,"journal":{"name":"Solid state nuclear magnetic resonance","volume":"122 ","pages":"Article 101834"},"PeriodicalIF":1.8000,"publicationDate":"2022-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S0926204022000637/pdfft?md5=34c8cd6a39dc8784f9deca371b37fc6d&pid=1-s2.0-S0926204022000637-main.pdf","citationCount":"1","resultStr":"{\"title\":\"Interaction frames in solid-state NMR: A case study for chemical-shift-selective irradiation schemes\",\"authors\":\"Matías Chávez,&nbsp;Matthias Ernst\",\"doi\":\"10.1016/j.ssnmr.2022.101834\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>Interaction frames play an important role in describing and understanding experimental schemes in magnetic resonance. They are often used to eliminate dominating parts of the spin Hamiltonian, e.g., the Zeeman Hamiltonian in the usual (Zeeman) rotating frame, or the radio-frequency-field (rf) Hamiltonian to describe the efficiency of decoupling or recoupling sequences. Going into an interaction frame can also make parts of a time-dependent Hamiltonian time independent like the rf-field Hamiltonian in the usual (Zeeman) rotating frame. Eliminating the dominant term often allows a better understanding of the details of the spin dynamics. Going into an interaction frame can also reduces the energy-level splitting in the Hamiltonian leading to a faster convergence of perturbation expansions, average Hamiltonian, or Floquet theory. Often, there is no obvious choice of the interaction frame to use but some can be more convenient than others. Using the example of frequency-selective dipolar recoupling, we discuss the differences, advantages, and disadvantages of different choices of interaction frames. They always include the complete radio-frequency Hamiltonian but can also contain the chemical shifts of the spins and may or may not contain the effective fields over one cycle of the pulse sequence.</p></div>\",\"PeriodicalId\":21937,\"journal\":{\"name\":\"Solid state nuclear magnetic resonance\",\"volume\":\"122 \",\"pages\":\"Article 101834\"},\"PeriodicalIF\":1.8000,\"publicationDate\":\"2022-12-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://www.sciencedirect.com/science/article/pii/S0926204022000637/pdfft?md5=34c8cd6a39dc8784f9deca371b37fc6d&pid=1-s2.0-S0926204022000637-main.pdf\",\"citationCount\":\"1\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Solid state nuclear magnetic resonance\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S0926204022000637\",\"RegionNum\":3,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q4\",\"JCRName\":\"CHEMISTRY, PHYSICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Solid state nuclear magnetic resonance","FirstCategoryId":"92","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0926204022000637","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
引用次数: 1

摘要

相互作用框架在描述和理解磁共振实验方案中起着重要作用。它们通常用于消除自旋哈密顿量的主要部分,例如,通常(塞曼)旋转框架中的塞曼哈密顿量,或射频场(rf)哈密顿量来描述解耦或重耦合序列的效率。进入一个相互作用的坐标系也可以使部分依赖于时间的哈密顿量与时间无关,就像通常(塞曼)旋转坐标系中的rf场哈密顿量。消除占主导地位的术语通常可以更好地理解自旋动力学的细节。进入一个相互作用的框架也可以减少哈密顿量中的能级分裂,从而导致扰动扩展,平均哈密顿量或Floquet理论的更快收敛。通常,没有明显的选择要使用的交互框架,但有些可能比其他更方便。以频率选择性偶极重耦合为例,讨论了不同选择的相互作用框架的差异、优缺点。它们总是包含完整的射频哈密顿量,但也可以包含自旋的化学位移,也可以包含或不包含脉冲序列一个周期内的有效场。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

摘要图片

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
Interaction frames in solid-state NMR: A case study for chemical-shift-selective irradiation schemes

Interaction frames play an important role in describing and understanding experimental schemes in magnetic resonance. They are often used to eliminate dominating parts of the spin Hamiltonian, e.g., the Zeeman Hamiltonian in the usual (Zeeman) rotating frame, or the radio-frequency-field (rf) Hamiltonian to describe the efficiency of decoupling or recoupling sequences. Going into an interaction frame can also make parts of a time-dependent Hamiltonian time independent like the rf-field Hamiltonian in the usual (Zeeman) rotating frame. Eliminating the dominant term often allows a better understanding of the details of the spin dynamics. Going into an interaction frame can also reduces the energy-level splitting in the Hamiltonian leading to a faster convergence of perturbation expansions, average Hamiltonian, or Floquet theory. Often, there is no obvious choice of the interaction frame to use but some can be more convenient than others. Using the example of frequency-selective dipolar recoupling, we discuss the differences, advantages, and disadvantages of different choices of interaction frames. They always include the complete radio-frequency Hamiltonian but can also contain the chemical shifts of the spins and may or may not contain the effective fields over one cycle of the pulse sequence.

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
5.30
自引率
9.40%
发文量
42
审稿时长
72 days
期刊介绍: The journal Solid State Nuclear Magnetic Resonance publishes original manuscripts of high scientific quality dealing with all experimental and theoretical aspects of solid state NMR. This includes advances in instrumentation, development of new experimental techniques and methodology, new theoretical insights, new data processing and simulation methods, and original applications of established or novel methods to scientific problems.
期刊最新文献
Applications of NMR based methodologies investigating the behavior of lignin and cellulose towards bio-based carbon fibers production 17O NMR relaxation measurements for investigation of molecular dynamics in static solids using sodium nitrate as a model compound Solid-state NMR compositional analysis of sputum from people with cystic fibrosis Elucidating structure and metabolism of insect biomaterials by solid-state NMR Glucose hydrochar consists of linked phenol, furan, arene, alkyl, and ketone structures revealed by advanced solid-state nuclear magnetic resonance
×
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