Advanced solid-state NMR methods for characterising structure and self-assembly in supramolecular chemistry, polymers and hydrogels

被引:18
作者
Brown, Steven P. [1 ]
机构
[1] Univ Warwick, Dept Phys, Coventry CV4 7AL, W Midlands, England
关键词
MAGNETIC-RESONANCE-SPECTROSCOPY; HIGH-RESOLUTION H-1; CARBON-CARBON CONNECTIVITIES; CRYSTAL-STRUCTURE PREDICTION; NATURAL ISOTOPIC ABUNDANCE; METAL-ORGANIC FRAMEWORKS; ANGLE-SPINNING NMR; INADEQUATE MAS NMR; 100 KHZ MAS; H-1-NMR SPECTROSCOPY;
D O I
10.1016/j.cocis.2018.02.005
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
Examples are presented showing how solid-state NMR can elucidate structural details where a three-dimensional crystal structure has not been obtained by diffraction. Specific examples are taken from the fields of supramolecular materials, polymers and hydrogels, with a focus on organic molecules and the application of two-dimensional H-1, C-13 and N-15 magic-angle spinning (MAS) NMR experiments.
引用
收藏
页码:86 / 98
页数:13
相关论文
共 70 条
[1]   De Novo 3D Structure Determination from Sub-milligram Protein Samples by Solid-State 100 kHz MAS NMR Spectroscopy [J].
Agarwal, Vipin ;
Penzel, Susanne ;
Szekely, Kathrin ;
Cadalbert, Riccardo ;
Testori, Emilie ;
Oss, Andres ;
Past, Jaan ;
Samoson, Ago ;
Ernst, Matthias ;
Boeckmann, Anja ;
Meier, Beat H. .
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2014, 53 (45) :12253-12256
[2]   Structure of fully protonated proteins by proton-detected magic-angle spinning NMR [J].
Andreas, Loren B. ;
Jaudzems, Kristaps ;
Stanek, Jan ;
Lalli, Daniela ;
Bertarello, Andrea ;
Le Marchand, Tanguy ;
Paepe, Diane Cala-De ;
Kotelovica, Svetlana ;
Akopjana, Inara ;
Knott, Benno ;
Wegner, Sebastian ;
Engelke, Frank ;
Lesage, Anne ;
Emsley, Lyndon ;
Tars, Kaspars ;
Herrmann, Torsten ;
Pintacuda, Guido .
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 2016, 113 (33) :9187-9192
[3]   Superstructure of a Substituted Zeolitic Imidazolate Metal-Organic Framework Determined by Combining Proton Solid-State NMR Spectroscopy and DFT Calculations [J].
Baias, Maria ;
Lesage, Anne ;
Aguado, Sonia ;
Canivet, Jerome ;
Moizan-Basle, Virginie ;
Audebrand, Nathalie ;
Farrusseng, David ;
Emsley, Lyndon .
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2015, 54 (20) :5971-5976
[4]   Powder crystallography of pharmaceutical materials by combined crystal structure prediction and solid-state 1H NMR spectroscopy [J].
Baias, Maria ;
Widdifield, Cory M. ;
Dumez, Jean-Nicolas ;
Thompson, Hugh P. G. ;
Cooper, Timothy G. ;
Salager, Elodie ;
Bassil, Sirena ;
Stein, Robin S. ;
Lesage, Anne ;
Day, Graeme M. ;
Emsley, Lyndon .
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2013, 15 (21) :8069-8080
[5]   First-Principles Calculation of NMR Parameters Using the Gauge Including Projector Augmented Wave Method: A Chemist's Point of View [J].
Bonhomme, Christian ;
Gervais, Christel ;
Babonneau, Florence ;
Coelho, Cristina ;
Pourpoint, Frederique ;
Azais, Thierry ;
Ashbrook, Sharon E. ;
Griffin, John M. ;
Yates, Jonathan R. ;
Mauri, Francesco ;
Pickard, Chris J. .
CHEMICAL REVIEWS, 2012, 112 (11) :5733-5779
[6]   Determining relative proton-proton proximities from the build-up of two-dimensional correlation peaks in 1H double-quantum MAS NMR: insight from multi-spin density-matrix simulations [J].
Bradley, Jonathan P. ;
Tripon, Carmen ;
Filip, Claudiu ;
Brown, Steven P. .
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2009, 11 (32) :6941-6952
[7]   The direct detection of a hydrogen bond in the solid state by NMR through the observation of a hydrogen-bond mediated 15N-15N J coupling [J].
Brown, SP ;
Pérez-Torralba, M ;
Sanz, D ;
Claramunt, RM ;
Emsley, L .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2002, 124 (07) :1152-1153
[8]   Applications of high-resolution 1H solid-state NMR [J].
Brown, Steven P. .
SOLID STATE NUCLEAR MAGNETIC RESONANCE, 2012, 41 :1-27
[9]   Defect Models of As-Made High-Silica Zeolites: Clusters of Hydrogen-Bonds and Their Interaction with the Organic Structure-Directing Agents Determined from 1H Double and Triple Quantum NMR Spectroscopy [J].
Brunklaus, Gunther ;
Koller, Hubert ;
Zones, Stacey I. .
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2016, 55 (46) :14457-14461
[10]   Dynamics and disorder in surfactant-templated silicate layers studied by solid-state NMR dephasing times and correlated line shapes [J].
Cadars, Sylvian ;
Mifsud, Nicolas ;
Lesage, Anne ;
Epping, Jan Dirk ;
Hedin, Niklas ;
Chmelka, Bradley F. ;
Emsley, Lyndon .
JOURNAL OF PHYSICAL CHEMISTRY C, 2008, 112 (25) :9145-9154