{"title":"1,4-二碘苯的场逐步扫描固态127I核磁共振。","authors":"Kazuhiko Yamada , Tatsuo Kaiho","doi":"10.1016/j.ssnmr.2023.101905","DOIUrl":null,"url":null,"abstract":"<div><p>Field-stepwise-swept solid-state <sup>127</sup>I NMR experiments of 1,4-diiodobenzene, C<sub>6</sub>H<sub>4</sub>I<sub>2</sub>, applied to a Zeeman-perturbed NQR region, have been presented. A series of QCPMG measurements is performed at <em>T</em><span> = 90 K with resonant frequencies of 271 MHz in the range of magnetic fields from 2.5 T to zero with the interval of 12 mT. The spectral simulation<span>, in which a numerical calculation involves the diagonalization of the combined Zeeman-quadrupolar Hamiltonian, provides quadrupole coupling constant (</span></span><em>C</em><sub>Q</sub>) = 1863(5) MHz and the asymmetry parameter (η<sub>Q</sub>) = 0.04(2). The <sup>127</sup><span>I NQR spectrum is observed at </span><em>T</em> = 90 K, which is consistent in the above experimental results.</p></div>","PeriodicalId":21937,"journal":{"name":"Solid state nuclear magnetic resonance","volume":null,"pages":null},"PeriodicalIF":1.8000,"publicationDate":"2023-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Field-stepwise-swept solid-state 127I NMR of 1,4-diiodobenzene\",\"authors\":\"Kazuhiko Yamada , Tatsuo Kaiho\",\"doi\":\"10.1016/j.ssnmr.2023.101905\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>Field-stepwise-swept solid-state <sup>127</sup>I NMR experiments of 1,4-diiodobenzene, C<sub>6</sub>H<sub>4</sub>I<sub>2</sub>, applied to a Zeeman-perturbed NQR region, have been presented. A series of QCPMG measurements is performed at <em>T</em><span> = 90 K with resonant frequencies of 271 MHz in the range of magnetic fields from 2.5 T to zero with the interval of 12 mT. The spectral simulation<span>, in which a numerical calculation involves the diagonalization of the combined Zeeman-quadrupolar Hamiltonian, provides quadrupole coupling constant (</span></span><em>C</em><sub>Q</sub>) = 1863(5) MHz and the asymmetry parameter (η<sub>Q</sub>) = 0.04(2). The <sup>127</sup><span>I NQR spectrum is observed at </span><em>T</em> = 90 K, which is consistent in the above experimental results.</p></div>\",\"PeriodicalId\":21937,\"journal\":{\"name\":\"Solid state nuclear magnetic resonance\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":1.8000,\"publicationDate\":\"2023-12-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Solid state nuclear magnetic resonance\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S0926204023000553\",\"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/S0926204023000553","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
Field-stepwise-swept solid-state 127I NMR of 1,4-diiodobenzene
Field-stepwise-swept solid-state 127I NMR experiments of 1,4-diiodobenzene, C6H4I2, applied to a Zeeman-perturbed NQR region, have been presented. A series of QCPMG measurements is performed at T = 90 K with resonant frequencies of 271 MHz in the range of magnetic fields from 2.5 T to zero with the interval of 12 mT. The spectral simulation, in which a numerical calculation involves the diagonalization of the combined Zeeman-quadrupolar Hamiltonian, provides quadrupole coupling constant (CQ) = 1863(5) MHz and the asymmetry parameter (ηQ) = 0.04(2). The 127I NQR spectrum is observed at T = 90 K, which is consistent in the above experimental results.
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.