Crystal structure of tetrabutylammonium nitroprusside dihydrate, [(C4H9)4N]2[Fe(CN)5NO]·2H2O, and vibrational spectra of ground and metastable excited states of the dihydrate and the anhydrate

被引:1
作者
María E. Chacón Villalba
Jorge A. Güida
Oscar E. Piro
Eduardo E. Castellano
Pedro J. Aymonino
机构
[1] Universidad Nacional de La Plata,CEQUINOR, Departamento de Química, Facultad de Ciencias Exactas
[2] Universidad Nacional de Luján,Departamento de Ciencias Básicas
[3] Universidad Nacional de La Plata,IFLP and LANADI (CONICET
[4] Universidade de São Paulo,UNLP), Departamento de Física, Facultad de Ciencias Exactas
[5] Universidad Nacional de La Plata,Instituto de Química y Física de São Carlos
来源
Journal of Chemical Crystallography | 2001年 / 31卷
关键词
tetrabutylammonium nitroprusside; crystal structure; vibrational spectra; metastable states;
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摘要
The crystal structure of tetrabutylammonium nitroprusside dihydrate (TBANPDH, [(C4H9)4N]2[Fe(CN)5NO]·2H2O) was determined by single crystal X-ray diffraction (XRD) and the compound was also studied, as well as the anhydrous salt (TBANP), by room and low temperature Fourier Transform Infra-Red (FTIR) and room temperature Fourier Transform Near Infra-Red Raman (FTNIRR) spectroscopies. In addition to the ground states (GS), the metastable excited states (MSI and MSII) generated by laser excitation (488 nm) at low temperature were IR studied, both of the dihydrate and the anhydrate. TBANPDH crystallizes in the trigonal space group P3221, D63, with a = b = 13.777(2), c = 22.039(2) Å, and Z = 3. The structure was solved employing 1273 independent XR reflections, with I > 2σ(I), by Patterson and Fourier methods and refined by full-matrix least-squares to R1 = 0.054.
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页码:155 / 166
页数:11
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