CRYSTAL-STRUCTURE AND ANION-DEPENDENT VARIATIONS IN THE VIBRATIONAL-SPECTRA OF 4,4'-BIPYRIDINIUM CATIONS

被引：20

作者：

BARKER, DJ

BUCKLETON, JS

CLARK, GR

COONEY, RP

RICKARD, CEF

机构：

[1] UNIV AUCKLAND,DEPT CHEM,AUCKLAND,NEW ZEALAND

[2] UNIV NEWCASTLE,DEPT CHEM,NEWCASTLE,NSW 2308,AUSTRALIA

来源：

JOURNAL OF MOLECULAR STRUCTURE | 1990年 / 239卷

关键词：

D O I：

10.1016/0022-2860(90)80218-9

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The crystal structure of 4,4′-bipyridinium nitrate has been determined. Crystal data: C10H10N4O6, Mr=282.18, a=23.334 (3), b=27.653 (6), c=3.6687 (5) Å, V=2367.2 Å3, orthorhombic, space group Fdd2; Z=8, Dm=1.59, Dx=1.57 g cm-3, Mo Kα, λ=0.71069 Å,μ=1.43 cm-1, F(000) = 1168, T=292.5 ± 1 K, R=0.041, Rw=0.042 for 847 (I>2.5σ) reflections. The dihedral angle between the two planar rings of the cation is 39.0°. The Raman and IR spectra of the dinitrate salt confirm the existence of relatively strong hydrogen bonding (N+··O- distance, 2.674 Å) and reflect the lower cation symmetry (D2) associated with non-coplanar rings. © 1990.

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页码：249 / 255

页数：7

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