Crystal growth and structural investigation of a new metal-organic crystal: β-alanine cadmium bromide monohydrate (β-ACBM)

• Published in: Phase transitions Vol. 87; no. 9; pp. 881 - 892
• Main Authors: Renugadevi, R., Kesavasamy, R.
• Format: Journal Article
• Language: English
• Published: Taylor & Francis 02-09-2014
• Subjects: Bromides; Cadmium; Carbon; Crystal structure; Crystals; Density; Diffraction; growth from solution; metal-organic compound; Reflection; single crystal growth; X-ray diffraction
• ISSN: 0141-1594; 1029-0338
• DOI: 10.1080/01411594.2014.915968

A new metal-organic crystal, β-alanine cadmium bromide monohydrate (β-ACBM) has been grown from aqueous solution by slow evaporation technique. The grown crystals have been subjected to single crystal X-ray diffraction to determine the crystal structure. The β-ACBM crystallized in monoclinic system, which belongs to the space group P2
1
/c with a = 8.6734(6) Å, b = 13.9451(8) Å, c = 7.6801(5) Å, β = 103.713(2)
o
, volume = 902.44(10) Å
3
, Z = 4, calculated density = 2.792 Mg/m
3
, F(000) = 704, absorption coefficient = 11.231 mm
−1
, the final R = 0.0252 and wR2 = 0.0601 for 2065 observed reflections [I > 2sigma(I)]. FT-IR spectroscopy analysis was carried out in order to identify the functional groups of the title compound. The presence of proton and carbon in the β-ACBM was confirmed by
1
H and
13
C nuclear magnetic resonance spectral analysis. The UV-Vis-NIR transmittance spectrum has been recorded for the grown β-ACBM crystal. The refractive index of β-ACBM crystal was determined by Brewster's angle method using He-Ne laser.