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Experimental Charge Density Analysis and Electrostatic Properties of Crystalline 1,3-Bis(Dimethylami...

Experimental Charge Density Analysis and Electrostatic Properties of Crystalline 1,3-Bis(Dimethylami...

https://devfeature-collection.sl.nsw.gov.au/record/TN_cdi_doaj_primary_oai_doaj_org_article_4cf2194963d84b68a6aa3b6479e6710d

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

About this item

Full title

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

Publisher

Basel: MDPI AG

Journal title

Crystals (Basel), 2020-10, Vol.10 (10), p.894

Language

English

Formats

Publication information

Publisher

Basel: MDPI AG

More information

Scope and Contents

Contents

Multipolar refinements of structural models fitting extensive sets of X-ray diffraction (XRD) data from single crystals of 1,3-bis(dimethylamino)squaraine [SQ, C8H12N2O2] and its dihydrate [SQDH, C8H12N2O2·2H2O], collected at very low T (18 ± 1 K for SQ, 20 ± 1 K for SQDH), led to an accurate description of their crystal electron density distributi...

Alternative Titles

Full title

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

Identifiers

Primary Identifiers

Record Identifier

TN_cdi_doaj_primary_oai_doaj_org_article_4cf2194963d84b68a6aa3b6479e6710d

Permalink

https://devfeature-collection.sl.nsw.gov.au/record/TN_cdi_doaj_primary_oai_doaj_org_article_4cf2194963d84b68a6aa3b6479e6710d

Other Identifiers

ISSN

2073-4352

E-ISSN

2073-4352

DOI

10.3390/cryst10100894

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