The rotational spectrum of 3,3,3-trifluoropropionic acid was measured by supersonic jet chirped-pulse Fourier transform microwave spectroscopy in the frequency range from 8 to 18 GHz. The rotational constants A = 3965.05187(53) MHz, B = 1343.14600(28) MHz and C = 1228.90710(29) MHz and three quartic centrifugal distortion constants have been determined for the first time. The analysis of the spectrum indicates that the observed conformer is the trans form of the acid with a planar heavy atom skeleton. The results are compared with the supporting ab initio calculations for this molecule. © 2013 Elsevier Inc. All rights reserved.
The microwave spectrum of 3,3,3-trifluoropropionic acid / Luca Evangelisti; Jennifer van Wijngaarden. - In: JOURNAL OF MOLECULAR SPECTROSCOPY. - ISSN 0022-2852. - STAMPA. - 290:(2013), pp. 1-4. [10.1016/j.jms.2013.06.006]
The microwave spectrum of 3,3,3-trifluoropropionic acid
EVANGELISTI, LUCA;
2013
Abstract
The rotational spectrum of 3,3,3-trifluoropropionic acid was measured by supersonic jet chirped-pulse Fourier transform microwave spectroscopy in the frequency range from 8 to 18 GHz. The rotational constants A = 3965.05187(53) MHz, B = 1343.14600(28) MHz and C = 1228.90710(29) MHz and three quartic centrifugal distortion constants have been determined for the first time. The analysis of the spectrum indicates that the observed conformer is the trans form of the acid with a planar heavy atom skeleton. The results are compared with the supporting ab initio calculations for this molecule. © 2013 Elsevier Inc. All rights reserved.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
