Experimental Charge Density Analysis and Electrostatic Properties of Crystalline 1,3‐ Bis(Dimethylamino)Squaraine and Its Dihydrate from Low Temperature (T = 18 and 20 K) XRD Data

Experimental Charge Density Analysis and Electrostatic Properties of Crystalline 1,3‐ Bis(Dimethylamino)Squaraine and Its Dihydrate from Low Temperature (T = 18 and 20 K) XRD Data

Multipolar refinements of structural models fitting extensive sets of X‐ray diffraction<br />(XRD) data from single crystals of 1,3‐bis(dimethylamino)squaraine [SQ, C8H12N2O2] and its<br />dihydrate [SQDH, C8H12N2O2∙2H2O], collected at very low T (18 ± 1 K for SQ, 20 ± 1 K for SQDH),<...

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Bibliographic Details
Main Authors: Riccardo Destro, Pietro Roversi, Raffaella Soave, Arjan Hovestad, Leonardo Lo Presti
Format: Article
Language:English
Published: MDPI AG 2020-10-01
Series:Crystals
Subjects:
single crystal
X‐ray diffraction
charge density
squaraine
low temperature
Quantum Theory of Atoms in Molecules
Online Access:https://www.mdpi.com/2073-4352/10/10/894

Internet

https://www.mdpi.com/2073-4352/10/10/894

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