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- W2024893209 abstract "High-resolution spectroscopy and low-temperature experimental conditions allowed us to carry out the rotational analysis of the ν15 fundamental band of acetaldehyde, observed around 150 cm−1. Some 1000 lines of A and E types have been assigned to the main band and some 90 A-type lines have been identified in the first overtone of the torsion mode. A simultaneous fit, using the nonrigid internal axis method, of a very severely selected set of unblended FIR data from the fundamental band (214 lines with J ≤ 10 and K <- 9), together with microwave data published in the literature, allowed us to obtain accurate molecular parameters describing describing internal and overall rotation in acetaldehyde. In particular, the Fourier coefficients V3 and V6 of the barrier for internal rotation as well as the rotationless origins of the ν15 fundamental band and its first overtone were determined with improved accuracy, compared to the data previously available in the literature. Some difficulties in treating vt = 1 microwave data led us to suspect problems in the theoretical model adopted or in the present vt = 1 microwave data set. Finally, a fit of selected unblended data from the first overtone of the torsion (29 A-type lines), together with the previously mentioned selected unblended data from the fundamental band, was carried out but resulted in a standard deviation somewhat higher than was obtained with the fundamental band alone." @default.
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- W2024893209 date "1990-08-01" @default.
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- W2024893209 title "The fundamental torsion band in acetaldehyde" @default.
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- W2024893209 doi "https://doi.org/10.1016/0022-2852(90)90181-o" @default.
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