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

Physics

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