<?xml version="1.0" encoding="utf-8"?>
<export-example>
  <doc>
    <id>44946</id>
    <completedYear/>
    <publishedYear>2018</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>5930</pageFirst>
    <pageLast>5933</pageLast>
    <pageNumber/>
    <edition/>
    <issue>20</issue>
    <volume>57</volume>
    <type>article</type>
    <publisherName>Wiley-VCH</publisherName>
    <publisherPlace>Weinheim</publisherPlace>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">In situ investigations of mechanochemical one-pot syntheses</title>
    <abstract language="eng">We present an in situ triple coupling of synchrotron X-ray diffraction with Raman spectroscopy, and thermography to study milling reactions in real time. This combination of methods allows a correlation of the structural evolution with temperature information. The temperature information is crucial for understanding both the thermodynamics and reaction kinetics. The reaction mechanisms of three prototypical mechanochemical syntheses, a cocrystal formation, a C@C bond formation (Knoevenagel condensation), and the formation&#13;
of a manganese-phosphonate, were elucidated. Trends in the temperature development during milling are identified. The heat of reaction and latent heat of crystallization of the product contribute to the overall temperature increase. A decrease in temperature occurs via release of, for example, water as a byproduct.&#13;
Solid and liquid intermediates are detected. The influence of the mechanical impact could be separated from temperature effects caused by the reaction.</abstract>
    <parentTitle language="eng">Angewandte Chemie International Edition</parentTitle>
    <identifier type="doi">10.1002/anie.201800147</identifier>
    <identifier type="issn">1433-7851</identifier>
    <identifier type="issn">1521-3773</identifier>
    <enrichment key="date_peer_review">18.05.2018</enrichment>
    <author>Hannes Kulla</author>
    <author>Sebastian Haferkamp</author>
    <author>Irina Akhmetova</author>
    <author>Mathias Röllig</author>
    <author>Christiane Maierhofer</author>
    <author>Klaus Rademann</author>
    <author>Franziska Emmerling</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>In situ studies</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Mechanochemistry</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Raman spectroscopy</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Thermography</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>X-ray diffraction</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
  </doc>
  <doc>
    <id>28307</id>
    <completedYear/>
    <publishedYear>2013</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>4017</pageFirst>
    <pageLast>4202</pageLast>
    <pageNumber/>
    <edition/>
    <issue>20</issue>
    <volume>15</volume>
    <type>article</type>
    <publisherName/>
    <publisherPlace>London, UK</publisherPlace>
    <creatingCorporation>Royal Society of Chemistry</creatingCorporation>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Crystal growth rates and molecular dynamics of nifedipine</title>
    <abstract language="eng">The unusually fast crystallization of the organic compound nifedipine has been investigated in detail using different solutions as precursors for the formation of the initial glassy nifedipine films. Starting from these amorphous films the crystallization process was investigated by time-resolved light microscopy at different temperatures around Tg of nifedipine. In all studied cases (acetone, acetonitrile, ethyl acetate, dichloromethane, tetrahydrofuran) the measured mean crystallization rates are, on average, 10000 times higher than rates reported in previous studies. Such high rates cannot be explained by a classical diffusional crystal growth mechanism of nifedipine. Instead, nifedipine shows a strong propensity for diffusionless growth. Solvent assisted or solvent induced preordering of the glassy modification is suggested to be the most probable driving force behind these fast crystallization processes. The nifedipine crystallization rates can be controlled not only by specific solvent–molecule interactions but also by temperature. Below 40 °C, the temperature dependence of the rates is generally small. Above 40 °C, a slowing down of the crystallization rates with increasing temperatures indicates a kinetic competition between different polymorphs. The molecular dynamics of nifedipine molecules in the amorphous phase as well as the relaxation times are studied by dielectric measurements. The dielectric data corroborate the inherently strong propensity of nifedipine to crystallize diffusionlessly under all conditions.</abstract>
    <parentTitle language="eng">CrystEngComm</parentTitle>
    <identifier type="old">31155</identifier>
    <identifier type="doi">10.1039/c2ce26911b</identifier>
    <identifier type="issn">1466-8033</identifier>
    <enrichment key="date_peer_review">06.05.2013</enrichment>
    <author>Tanja Gnutzmann</author>
    <author>R. Kahlau</author>
    <author>S. Scheifler</author>
    <author>Ferdinand Friedrichs</author>
    <author>A. Rössler</author>
    <author>Klaus Rademann</author>
    <author>Franziska Emmerling</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Fast crystallization</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Diffusionless growth</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Polymorphism</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Nifedipine</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Preordering</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Raman spectroscopy</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Dielectric spectroscopy</value>
    </subject>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
  </doc>
  <doc>
    <id>39708</id>
    <completedYear/>
    <publishedYear>2017</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>15</pageFirst>
    <pageLast>24</pageLast>
    <pageNumber/>
    <edition/>
    <issue>1-3</issue>
    <volume>232</volume>
    <type>article</type>
    <publisherName>De Gruyter</publisherName>
    <publisherPlace>Berlin</publisherPlace>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Control of organic polymorph formation: crystallization pathways in acoustically levitated droplets</title>
    <abstract language="eng">Theoretical and experimental studies indicate that crystal nucleation can take more complex pathways than expected on the ground of the classical nucleation theory. Among these pathways are the formation of pre-nucleation clusters and amorphous precursor phases. A direct in situ observation of the different pathways of nucleation from solution is challenging since the paths can be influenced by heterogeneous nucleation sites, such as container walls. Here, we provide insights into the crystallization process using the in situ combination of an acoustic levitator, Raman spectroscopy, and X-ray scattering. The contactless sample holder enables the observation of homogeneous crystallization processes and the detection of intermediates and final crystalline forms. We provide evidence for the existence of multiple pathways of nucleation based on the investigation of the crystallization of organic molecules from different solvents. Starting from a diluted solution, a supersaturation is reached during the experiment due to the evaporation of the solvent. The highly supersaturated solution reveals different pathways of crystallization. Depending on the degree of supersaturation either the thermodynamically stable or the metastable crystal form is observed.</abstract>
    <parentTitle language="eng">Zeitschrift für Kristallographie - Crystalline Materials</parentTitle>
    <identifier type="doi">10.1515/zkri-2016-1964</identifier>
    <identifier type="issn">2194-4946</identifier>
    <identifier type="issn">2196-7105</identifier>
    <enrichment key="date_peer_review">07.04.2017</enrichment>
    <author>Thi Yen Nguyen</author>
    <author>Ernst Roessler</author>
    <author>Klaus Rademann</author>
    <author>Franziska Emmerling</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Crystallization</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>In situ XRD</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Polymorphism</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Polyamorphism</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Raman spectroscopy</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
  </doc>
</export-example>
