SIMULATING RAMAN SPECTRA OF C60BR6 AND C60CL6.
- Department of Physics, IFTM University, Moradabad.
- Department of Chemical Engineering, Aligarh Muslim University, Aligarh.
- Department of Botany Pt. L. M. S. Govt. Autonomous P. G. College, Rishikesh.
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The Ab Initio method is used to simulate both Raman spectrum of C60Br6 and C60Cl6. Each chloride atom as (C60Cl6) well as bromide atom (C60Br6) connected with fullerene perturbed in a small fullerene cage separately. This makes small frequency shifts demonstration in the fullerene derivative spectrum. There are three main groups of range are seen in simulated Raman peaks of C60Br6. The three principal regions of its vibrational spectrum namely the first range from 100 to 800 cm-1, the second range from 800 to 1300 cm-1, the third range from 1300 to 2000 cm-1. It is appearing that no peaks are coming out after 1800 cm-1 in C60Br6. The high peaks intensities are appear in the lower region of spectrum of C60Br6 while the low intensities are seen in case of C60Cl6. The numbers of peaks in spectrum of C60Br6 are more than C60Cl6. This is due to bromide atoms are heavier than chloride atoms and thus this giving greater momentum to fullerene cage.
[Rashid Nizam, Md Afzal Mustafa and Shabina Parveen. (2016); SIMULATING RAMAN SPECTRA OF C60BR6 AND C60CL6. Int. J. of Adv. Res. 4 (Feb). 242-244] (ISSN 2320-5407). www.journalijar.com
