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| Content Provider | World Health Organization (WHO)-Global Index Medicus |
|---|---|
| Author | Sanotra, Sumit Khajuria, Yugal Gupta, Ujval Sheikh, Haq Nawaz Gupta, Rimpy |
| Description | Country affiliation: India Author Affiliation: Sanotra S ( Department of Chemistry, University of Jammu, Jammu 180 006, India.); Gupta R ( Department of Chemistry, University of Jammu, Jammu 180 006, India.); Gupta U ( School of Physics, Shri Mata Vaishno Devi University, Katra 182 320, India.); Khajuria Y ( School of Physics, Shri Mata Vaishno Devi University, Katra 182 320, India. Electronic address: yugal@smvdu.ac.in.); Sheikh HN ( Department of Chemistry, University of Jammu, Jammu 180 006, India. Electronic address: hnsheikh@rediffmail.com.) |
| Abstract | A cadmium 1,10-phenanthroline complex, [Cd(phen)2(NO3)2] has been synthesized by and its crystal structure determined. The compound is monoclinic, C2/c, a=11.5008(2), b=15.3523(2), c=13.2767(2)Å, ß=103.610(2), Z=4. The compound is monomeric with a octacoordinate cadmium ion bonded to two bidentate 1,10-phenanthroline molecules and two bidentate nitrate units. The metal ion is bis-chelated by two N-heterocycles as well as by two nitrate ions in a distorted dodecahedral CdN4O4 coordination environment. The complex is thermally stable up to 110°C. Photophysical investigation reveals that complex is luminescent in the solid state. The molecular geometry, harmonic vibrational frequencies and bonding features of complex [Cd(phen)2(NO3)2] in the ground-state have been calculated by using the density functional B3LYP method with 3-21G (d, p) as higher basis set. The calculated HOMO and LUMO energies show that charge transfer occurs within the molecule. Finally the calculation results were applied to simulate infrared spectrum of the title compound which show good agreement with observed spectrum. |
| ISSN | 13861425 |
| Volume Number | 129 |
| e-ISSN | 18733557 |
| Journal | Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy |
| Language | English |
| Publisher | Elsevier |
| Publisher Date | 2014-08-14 |
| Publisher Place | Great Britain (UK) |
| Access Restriction | One Nation One Subscription (ONOS) |
| Subject Keyword | Cadmium Chemistry Coordination Complexes Luminescent Agents Phenanthrolines Chemical Synthesis Crystallography, X-ray Models, Molecular Molecular Conformation Quantum Theory Journal Article Research Support, Non-u.s. Gov't Discipline Spectroscopy |
| Content Type | Text |
| Resource Type | Article |
| Subject | Spectroscopy Atomic and Molecular Physics, and Optics Analytical Chemistry Instrumentation |
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