<h3>Title</h3>
<h3>Methods and developments for the characterization of materials using SSNMR</h3>
<p><strong><span style="text-decoration: underline;">Abstract</span> :</strong></p>
<p>In dynamic nuclear polarization (DNP) the large Boltzmann polarization of unpaired electrons is transferred to surrounding nuclei. The most common approach for DNP in solids is to add a solution of exogenous biradicals to the material of interest. The sample is then frozen, with the solvent forming a glassy matrix in which the radical is efficiently dispersed.<sup>[1]</sup> An alternative approach, which is very efficient for obtaining hyperpolarization in the bulk of inorganic crystals, is to use endogenous sources for DNP through incorporation of paramagnetic metal ion dopants.<sup>[2]</sup> Recently it was shown that the metal ions based approach is far less efficient in glassy solids.<sup>[3]</sup> Here I will present a detailed analysis performed to identify the origin for the different efficiency of metal ions DNP in glassy and crystalline matrices and the application of the DNP for the study of catalysts and electrolytes.<sup>[4]</sup></p>
<p> Second theme of the talk is about NMR crystallography, a method that primarily utilizes solid-state NMR spectroscopy for the structural characterization of materials on the atomic scale.<sup>[5]</sup> However, the central premise of this approach is to combine the local structural information available from NMR with information from different approaches, and in particular exploiting complementary diffraction techniques, such as powder X-ray diffraction. The recent advances in computation, particularly density functional theory (calculation of NMR parameters in periodic systems), has significantly strengthened the field of NMR crystallography over the last few years. I will present how NMR crystallography could be extended to a self-assembled system that are having importance in alternate energy. I anticipate that the methodology could be extended to systems with inherent heterogeneous character, which is needed for the future materials design.</p>
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<p><strong>References:</strong></p>
<p> </p>
<p>[1]    D. A. Hall, D. C. Maus, G. J. Gerfen, S. J. Inati, L. R. Becerra, F. W. Dahlquist, R. G. Griffin, <em>Science </em><strong>1997</strong>, <em>276</em>, 930-932.</p>
<p>[2]    aV. K. Michaelis, A. A. Smith, B. Corzilius, O. Haze, T. M. Swager, R. G. Griffin, <em>Journal of the American Chemical Society </em><strong>2013</strong>, <em>135</em>, 2935-2938; bT. Wolf, S. Kumar, H. Singh, T. Chakrabarty, F. Aussenac, A. I. Frenkel, D. T. Major, M. Leskes, <em>Journal of the American Chemical Society </em><strong>2019</strong>, <em>141</em>, 451-462.</p>
<p>[3]    A. L. Paterson, F. A. Perras, M. F. Besser, M. Pruski, <em>The Journal of Physical Chemistry C </em><strong>2020</strong>, <em>124</em>, 23126-23133.</p>
<p>[4]    aA. Harchol, G. Reuveni, V. Ri, B. Thomas, R. Carmieli, R. H. Herber, C. Kim, M. Leskes, <em>The Journal of Physical Chemistry C </em><strong>2020</strong>, <em>124</em>, 7082-7090; bA. M. Love, B. Thomas, S. E. Specht, M. P. Hanrahan, J. M. Venegas, S. P. Burt, J. T. Grant, M. C. Cendejas, W. P. McDermott, A. J. Rossini, I. Hermans, <em>Journal of the American Chemical Society </em><strong>2019</strong>, <em>141</em>, 182-190.</p>
<p>[5]    aB. Thomas, R. K. Dubey, M. T. B. Clabbers, K. B. S. S. Gupta, E. van Genderen, W. F. Jager, J. P. Abrahams, E. J. R. Sudholter, H. J. M. de Groot, <em>Chemistry – A European Journal </em><strong>2018</strong>, <em>24</em>, 14989-14993; bB. Thomas, J. Rombouts, G. T. Oostergetel, K. B. S. S. Gupta, F. Buda, K. Lammertsma, R. Orru, H. J. M. de Groot, <em>Chemistry – A European Journal </em><strong>2017</strong>, <em>23</em>, 3280-3284.</p>