Field-Stepwise-Swept Solid-State 35Cl NMR and NQR of trichloroisocyanuric acid

被引：0
|
作者：
Yamada, Kazuhiko [1 ]
Takahashi, Masato [2 ]
Tritrakarn, Techit [3 ]
Okamura, Tetsuji [3 ]
机构：
[1] Kochi Univ, Res & Educ Fac, Interdisciplinary Sci Unit, Multidisciplinary Sci Cluster, Oko Campus, Nankoku, Kochi 7838505, Japan
[2] Ctr Biosyst Dynam Res, Lab NMR Engn & Struct Sci, RIKEN Yokohama Campus, Kanagawa 2300045, Japan
[3] Tokyo Inst Technol, Dept Mech Engn, 4259 Nagatusta cho,Midori ku, Yokohama, Kanagawa 2268502, Japan
来源：
CHEMICAL PHYSICS LETTERS | 2023年 / 811卷
关键词：
Field-stepwise-swept solid-state NMR; NQR; Cl-35; Trichloroisocyanuric acid; SPECTROSCOPY; SPECTRA; ACQUISITION; CHLORINE;
D O I：
10.1016/j.cplett.2022.140250
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
Field-stepwise-swept solid-state 35Cl nuclear magnetic resonance (NMR) and nuclear quadrupole resonance (NQR) experiments of trichloroisocyanuric acid (TCICA) are carried out. The quadrupolar frequencies, vQ, were found to be 57.9 - 58.8 MHz in the temperature range between 180 and 299 K. The analysis of the field-stepwise -swept solid-state 35Cl NMR spectrum, observed at 240 K and acquired at 43.25 MHz, yields the quadrupolar coupling constant (CQ) of 116.6(2) MHz and the asymmetric parameter (eta Q) of 0.05(5). The tensor orientation of the 35Cl Electric-Field-Gradient (EFG) tensor is briefly discussed.
引用
收藏
页数：4
相关论文
共 50 条
  • [31] Reorientations of molecules between unequal potential wells in solid pentafluorochlorobenzene according to 19F NMR and 35Cl NQR data
    N. E. Ainbinder
    G. E. Kibrik
    A. N. Osipenko
    G. B. Soifer
    Physics of the Solid State, 1997, 39 : 780 - 782
  • [32] A 35Cl NQR study of the parameters of state of the librational subsystem of molecular vibrations in hexachlorobenzene crystals
    Izmest'ev, IV
    RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY, 2003, 77 (07): : 1099 - 1102
  • [33] Development of stepwise-field-swept solid-state NMR of half-integer quadrupoles towards high digital-resolution NMR spectra
    Yamada, Kazuhiko
    Bulletin of the Chemical Society of Japan, 2017, 90 (11): : 1224 - 1229
  • [34] Development of Stepwise-Field-Swept Solid-State NMR of Half-Integer Quadrupoles towards High Digital-Resolution NMR Spectra
    Yamada, Kazuhiko
    BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN, 2017, 90 (11) : 1224 - 1229
  • [35] STUDIES OF FLUXIONALITY IN PENTACHLOROCYCLOPENTADIENYLMERCURIALS RHGC5CL5 BY SOLUTION AND SOLID-STATE C-13 NMR AND BY CL-35 NQR SPECTROSCOPY
    WULFSBERG, G
    BUCHANAN, AC
    RUBIN, I
    WEISS, A
    DAVIS, DA
    BASS, K
    TODD, RW
    JUI, CCC
    ZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES, 1986, 41 (1-2): : 175 - 178
  • [36] Ab initio 35Cl solid state NMR-based crystallography of active pharmaceutical ingredients.
    Pulido, Angeles
    Hirsh, David A.
    Schurko, Robert W.
    Day, Graeme M.
    ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, 2016, 72 : S117 - S117
  • [37] Direct Investigation of Covalently Bound Chlorine in Organic Compounds by Solid-State 35Cl NMR Spectroscopy and Exact Spectral Line-Shape Simulations
    Perras, Frederic A.
    Bryce, David L.
    ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2012, 51 (17) : 4227 - 4230
  • [38] A Study of Transition-Metal Organometallic Complexes Combining 35Cl Solid-State NMR Spectroscopy and 35ClNQR Spectroscopy and First-Principles DFT Calculations
    Johnston, Karen E.
    O'Keefe, Christopher A.
    Gauvin, Regis M.
    Trebosc, Julien
    Delevoye, Laurent
    Amoureux, Jean-Paul
    Popoff, Nicolas
    Taoufik, Mostafa
    Oudatchin, Konstantin
    Schurko, Robert W.
    CHEMISTRY-A EUROPEAN JOURNAL, 2013, 19 (37) : 12396 - 12414
  • [39] In Situ Characterization of Waters of Hydration in a Variable-Hydrate Active Pharmaceutical Ingredient Using 35Cl Solid-State NMR and X-ray Diffraction
    Hirsh, David A.
    Holmes, Sean T.
    Chakravarty, Paroma
    Peach, Austin A.
    DiPasquale, Antonio G.
    Nagapudi, Karthik
    Schurko, Robert W.
    CRYSTAL GROWTH & DESIGN, 2019, 19 (12) : 7349 - 7362
  • [40] 24 T High-Resolution and -Sensitivity Solid-State NMR Measurements of Low-Gamma Half-Integer Quadrupolar Nuclei 35Cl and 37Cl
    Manoj Kumar Pandey
    Kenjiro Hashi
    Shinobu Ohki
    Gen Nishijima
    Shinji Matsumoto
    Takashi Noguchi
    Kenzo Deguchi
    Atsushi Goto
    Tadashi Shimizu
    Hideaki Maeda
    Masato Takahashi
    Yoshinori Yanagisawa
    Toshio Yamazaki
    Seiya Iguchi
    Ryoji Tanaka
    Takahiro Nemoto
    Tetsuo Miyamoto
    Hiroto Suematsu
    Kazuyoshi Saito
    Takashi Miki
    Yusuke Nishiyama
    Analytical Sciences, 2016, 32 : 1339 - 1345
12345