NQR investigation and characterization of cocrystals and crystal polymorphs

被引：6

作者：

Seliger, Janez ^{[1
,2
,3
]}

Zagar, Veselko ^{[1
]}

Asaji, Tetsuo ^{[4
]}

机构：

[1] Jozef Stefan Inst, Ljubljana 1000, Slovenia

[2] Univ Ljubljana, Fac Math & Phys, Ljubljana 1000, Slovenia

[3] EN FIST Ctr Excellence Dunajska, Ljubljana 1000, Slovenia

[4] Nihon Univ, Coll Humanities & Sci, Dept Chem, Tokyo 1568550, Japan

来源：

HYPERFINE INTERACTIONS | 2013年 / 222卷 / 1-3期

关键词：

Nuclear quadrupole interaction; Cocrystal; Hydrogen bond; Ferroelectric; API; NUCLEAR-QUADRUPOLE RESONANCE; ROOM-TEMPERATURE; CHLORANILIC ACID; N-14; NQR; FERROELECTRICITY; CARBAMAZEPINE; ISONICOTINAMIDE; SPECTROSCOPY; FREQUENCIES; PHENAZINE;

D O I：

10.1007/s10751-012-0665-9

中图分类号：

O64 [物理化学（理论化学）、化学物理学]; O56 [分子物理学、原子物理学];

学科分类号：

070203 ; 070304 ; 081704 ; 1406 ;

摘要：

The application of N-14 NQR to the study of cocrystals and crystal polymorphs is reviewed. In ferroelectric and antiferroelectric organic cocrystals N-14 NQR is used to determine proton position in an N-H...O hydrogen bond and proton displacement below T-C. In cocrystal isonicitinamide - oxalic acid (2:1) N-14 NQR is used to distinguish between two polymorphs and to determine the type of the hydrogen bond (N-...H-O). The difference in the N-14 NQR spectra of cocrystal formers and cocrystal is investigated in case of carbamazepine, saccharin and carbamazepine - saccharin (1:1). The experimental resolution allows an unambiguous distinction between the N-14 NQR spectrum of the cocrystal and the N-14 NQR spectra of the cocrystal formers. The possibility of application of NQR and double resonance for the determination of the inhomogeneity of the sample and for the study of the life time of an unstable polymorph is discussed.

引用

页码：1 / 13

页数：13

共 33 条

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