The Ground and First Torsional States of CD(3)CHO.
The rotational spectra for the ground and first excited torsional states v(t) = 0 and 1 in the frequency region of 8-254 GHz and the v(t) = 1 <-- 0 band high-resolution far-infrared spectrum of 2,2,2-d(3)-acetaldehyde (CD(3)CHO) were measured. We fitted a data set consisting of 1016 v(t) = 1 <-- 0 far-infrared lines together with 195 microwave lines in v(t) = 0 and 79 microwave lines in v(t) = 1 to near-experimental accuracy, using a global model from the earlier literature. The final fit includes lines with J </= 20 and requires 25 parameters to achieve root-mean-square deviations of 87 and 88 kHz for the microwave v(t) = 0 and 1 lines, respectively, and of 0.00048 cm(-1) for the far-infrared v(t) = 1-0 lines. This can be considered a good starting point for future analysis of CD(3)CHO. Copyright 1999 Academic Press.
Kleiner
I
Laboratoire de Photophysique Moléculaire, Université Paris Sud, Bâtiment 210, Orsay Cedex, 91405, France
Lopez
JC
Blanco
S
McKellar
AR
Moazzen-Ahmadi
N