NQR of Polymorphic Crystals
A special issue of Crystals (ISSN 2073-4352). This special issue belongs to the section "Crystal Engineering".
Deadline for manuscript submissions: closed (30 April 2020) | Viewed by 22117
Special Issue Editor
Special Issue Information
Dear Colleagues,
The phenomenon of polymorphism is well known to profoundly effect the solid-state properties of crystalline solids. For example, the polymorphic forms of solid active pharmaceutical ingredients (API) often manifest striking differences in solubility and dissolution rate, which directly affect the biological action of drugs. From an economic standpoint, the production and intellectual property protection aspects of polymorphism may be equally important.
Nuclear quadrupole resonance (NQR) spectroscopy is sometimes considered an 'exotic' variant of NMR and is not used as widely as NMR. However, it is becoming more and more clear that especially in the field of crystalline polymorphism, there are advantages of NQR spectroscopy that can help solve many questions more easily than NMR. For example, NQR does not require an external magnetic field, so powder samples exhibit the same high spectral resolution with narrow lines as single crystals. Different polymorphic structures often exhibit minuscule shifts or splitting of NMR lines; in NQR, the resonance frequencies are directly defined by the crystalline structure and the shifts are much more pronounced and easily distinguished. The usefulness of NQR is nowadays further enhanced by DFT calculations that allow for the calculation of the electric field gradient, thus establishing a link between the structural arrangement and the corresponding NQR spectra.
This Special Issue, entitled “NQR of Polymorphic Crystals”, aims to collect original research papers and review articles on NQR studies on polymorphic crystals, not just in the sense of different crystalline forms of the same molecules, but also other related solid state forms, such as co-crystals, solvates, salts and amorphous forms.
Dr. Tomaž Apih
Guest Editor
Manuscript Submission Information
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Keywords
- Nuclear Quadrupole Resonance
- NQR
- Electric Field Gradient
- EFG
- Polymorph
- Cocrystal