THE GROUND AND 1ST TORSIONAL STATES OF ACETALDEHYDE

被引:52
作者
KLEINER, I
HOUGEN, JT
SUENRAM, RD
LOVAS, FJ
GODEFROID, M
机构
[1] NATL INST STAND & TECHNOL,DIV MOLEC PHYS,GAITHERSBURG,MD 20899
[2] UNIV LIBRE BRUXELLES,CHIM PHYS MOLEC LAB,B-1050 BRUSSELS,BELGIUM
关键词
D O I
10.1016/0022-2852(92)90494-9
中图分类号
O64 [物理化学(理论化学)、化学物理学]; O56 [分子物理学、原子物理学];
学科分类号
070203 ; 070304 ; 081704 ; 1406 ;
摘要
We have fitted to within experimental accuracy a data set for acetaldehyde consisting of 423 vt = 0 microwave lines, 270 vt = 1 microwave lines, and 214 vt = 1 ← 0 far-infrared lines, using a global model from the earlier literature. The vt = 1 microwave data set was extended and corrected by 76 new measurements from NIST; the theoretical model was extended by inclusion of higher order terms from the literature. The final fit requires only 34 parameters to achieve a unitless weighted standard deviation for the whole fit of 1.15, demonstrating both the power of the model and the internal consistency of the data. © 1992.
引用
收藏
页码:578 / 586
页数:9
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