Millimeterwave Spectral Studies of Propynal (HCCCHO) Produced by DC Glow Discharge and Ab Initio DFT Calculation
Joint Authors
Mandal, Debasish
Jaman, A. I.
Das, Abhijit K.
Bhattacharya, Rangana
Source
Journal of Atomic, Molecular, and Optical Physics
Issue
Vol. 2011, Issue 2011 (31 Dec. 2011), pp.1-8, 8 p.
Publisher
Hindawi Publishing Corporation
Publication Date
2011-12-20
Country of Publication
Egypt
No. of Pages
8
Main Subjects
Abstract EN
The ground-state (v = 0) millimeterwave rotational spectrum of propynal (HCCCHO) produced by a DC glow discharge through a low-pressure (~10–20 mTorr) flow of propargyl alcohol (HCCCH2OH) vapor has been observed in the frequency region: 36.0–94.0 GHz.
Measured rotational transition frequencies along with the previously reported microwave and millimeterwave transitions were fitted to a standard asymmetric-top Hamiltonian to determine an improved set of rotational and centrifugal distortion constant.
Detailed DFT calculations were also carried out with various functional and basis sets to evaluate the spectroscopic constants, dipole moment, and various structural parameters of propynal and compared with the corresponding experimental values.
American Psychological Association (APA)
Jaman, A. I.& Bhattacharya, Rangana& Mandal, Debasish& Das, Abhijit K.. 2011. Millimeterwave Spectral Studies of Propynal (HCCCHO) Produced by DC Glow Discharge and Ab Initio DFT Calculation. Journal of Atomic, Molecular, and Optical Physics،Vol. 2011, no. 2011, pp.1-8.
https://search.emarefa.net/detail/BIM-472398
Modern Language Association (MLA)
Jaman, A. I.…[et al.]. Millimeterwave Spectral Studies of Propynal (HCCCHO) Produced by DC Glow Discharge and Ab Initio DFT Calculation. Journal of Atomic, Molecular, and Optical Physics No. 2011 (2011), pp.1-8.
https://search.emarefa.net/detail/BIM-472398
American Medical Association (AMA)
Jaman, A. I.& Bhattacharya, Rangana& Mandal, Debasish& Das, Abhijit K.. Millimeterwave Spectral Studies of Propynal (HCCCHO) Produced by DC Glow Discharge and Ab Initio DFT Calculation. Journal of Atomic, Molecular, and Optical Physics. 2011. Vol. 2011, no. 2011, pp.1-8.
https://search.emarefa.net/detail/BIM-472398
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references
Record ID
BIM-472398
