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High-resolution Fourier transform infrared (FTIR) spectroscopy of acetylene molecules (¹²C2H2, ¹²C2HD and ¹²C2D2)
Author
Rabia’tul A’dawiah Mohamed Yazid
Supervisor
Tan, Augustine Tuck Lee
Abstract
The high resolution Fourier transform infrared (FTIR) spectrum of acetylene and deuterated acetylene were recorded and analyzed. ν1, ν3, ν4, ν5 and ν4 + ν5 bands of 12C2MHD, ν3 and ν5 bands of 12C2H2 and ν3 and ν5 bands of 12C2D2 were recorded from wavenumber 400 cm-1 to 750 cm-1 at a resolution of 0.00096 cm-1 and 1000 cm-1 to 3400 cm-1 at a resolution of 0.0063 cm-1 . In total, 671 rovibrational transitions were assigned using a least-square fit analysis. The vibration-rotation energy expression and effective rotational constants of linear tetra-atomic molecules of acetylene and its deuterated forms were derived. The root-mean square (rms) deviation of the fit for ν1, v3, ν4+ ν5 bands of 12C2HD was found to be 0.000264 cm-1 and 0.000117 cm-1 for ν4 and ν5 bands. The rms deviation of the fit of the ν3 band of 12C2H2 was 0.000619 cm-1 and 0.000180 cm-1 for the ν5 band. The rms deviation of the fit analysis of the ν3 and ν5 band of 12C2D2 was found to be 0.000241 cm-1 and 0.000617 cm-1 respectively. The band centres of the ν1, ν3, ν4, ν5 and ν4+ν5 bands of 12C2HD were found to be 3335.605605 ± 0.000060870 cm-1, 2583.607411 ± 0.000063415 cm-1 , 519.3755803 ± 0.000025091 cm-1, 678.8008460 ± 0.000023019 cm-1 and 1200.498665 ± 0.000097742 cm-1 respectively. The band centres of the ν3 and ν5 bands 12C2H2 were calculated to be 3294.840883 ± 0.00020264 cm-1 and 538.6370708 ± 0.00010955 cm-1 respectively. Finally, the band centres of ν3 and ν5 bands of 12C2D2 were determined to be 2439.247248 ± 0.000053475 cm-1 and 538.6370708 ± 0.00010955 cm-1 respectively.
Date Issued
2016
Call Number
QD305.H8 Rab
Date Submitted
2016