Please use this identifier to cite or link to this item: http://hdl.handle.net/10497/22363
Title: 
Authors: 
Supervisor: 
Tan, Augustine Tuck Lee
Issue Date: 
2019
Abstract: 
The infrared spectra of ๐œˆ11 band of 13C2H4 ranging from 2910 cm-1 to 3020 cm-1 was collected and analysed using the high-resolution Fourier transform infrared (FTIR) spectroscopy with a resolution of 0.0063 cm-1. A total of 585 unperturbed infrared absorption lines were assigned and fitted. Using Watsonโ€™s A-reduced Hamiltonian in the Ir representation, improved rovibrational constants, specifically rotational constants B and C; and quartic terms ๐›ฟ๐ฝ and ๐›ฟ๐‘˜ for upper state ( ๐‘ฃ11= 1) were derived. The root-mean-square deviation of the fit in this work is at 0.00080 cm-1, which is lower than the accuracy of the measurements of the spectral line positions of ยฑ 0.001 cm-1. The band centre of the ๐œˆ11 band of 13C2H4, ๐œˆ๐‘œ, was determined as 2969.602782 ยฑ 0.000072 cm-1 for the upper state ๐‘ฃ11=1.

In addition, the rovibrational constants of the upper state ๐‘ฃ11=1 state derived from this work also agreed and aligned closely with the computational calculations using the MP2/cc-pVQZ and B3LYP/cc-pVQZ levels of theory. The improved constants reported in this work can be used as a reference for future works on ethylene and its isotopologues.
URI: 
Issued Date: 
2019
Call Number: 
QD96.I5 Kok
File Permission: 
Restricted
File Availability: 
With file
Appears in Collections:Master of Science (Life Sciences)

Files in This Item:
File Description SizeFormat 
KohHuiChing-MSCLS.pdf
  Restricted Access
2.68 MBAdobe PDFView/Open
Show full item record

Page view(s)

93
checked on Nov 24, 2022

Download(s)

12
checked on Nov 24, 2022

Google ScholarTM

Check


Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.