Chemie und Kristallzüchtung

Nucleation of Organic Crystals—A Molecular Perspective

“…It is evident from Table 1 that estimates of the preexponential value are always significantly in excess of the measured values. This situation was noted as early as 1957 in Table 1: Measured values for A and B in Equation (1).…”

“…[1] For example, in the context of materials chemistry, the ability to control with precision the process of molecular assembly from solution will be crucial for the use of structure prediction [2] and the future development of molecular-scale process design. [1] For example, in the context of materials chemistry, the ability to control with precision the process of molecular assembly from solution will be crucial for the use of structure prediction [2] and the future development of molecular-scale process design.…”

“…The process of phase transformation and the resulting creation of crystalline materials from liquid-phase precursors are central to the science and process engineering of materials in their broadest sense. [1] For example, in the context of materials chemistry, the ability to control with precision the process of molecular assembly from solution will be crucial for the use of structure prediction [2] and the future development of molecular-scale process design. [3] In crystal engineering, understanding and control of the key intermolecular interactions and synthons involved in the early stages of molecular self-assembly associated with nucleation are of fundamental importance for the creation of polymorphic, solvated, salt, or cocrystal solid forms with the desired physical properties.…”

Große Moleküle aus der virtuellen Backstube – eine Lücke in der Strukturforschung wird geschlossen

“…Neben Fortschritten bei den Kristallisationstechniken [25] sind hier vor allem wesentlich verbesserte Möglich-keiten der Intensitätsdatensammlung zu nennen. Durch den Einsatz von Synchrotronstrahlung, möglichst bei tiefen Temperaturen, läût sich das Verhältnis von Reflexintensität zum Untergrund besonders bei hohen Beugungsordnungen erheblich steigern.…”

Large Molecules from the Virtual Bakery— Filling a Gap in Structure Research

“…Todays processors have increased the computing speed by two orders of magnitude, which reduces the computing time of VAX years to an acceptable number of hours or days. Because the new algorithms need data sets with atomic resolution, these methods could hardly have succeeded without the remarkable progress that has taken place in the experimental field in recent years, especially the new developments in crystallization techniques [25] and the improved possibilities for X-ray data collection. By using synchrotron radiation, possibly with the crystal samples kept at low temperatures, one can greatly improve the ratio of reflection intensity to background, especially in high-angle ranges.…”