Microwave spectrum of methylthioacetonitrile

Autor:	R. Kewley
Rok vydání:	1978
Předmět:	Chemistry Organic Chemistry Spectrum (functional analysis) Analytical chemistry Rotational spectrum General Chemistry Atomic physics Conformational isomerism Catalysis Microwave
Zdroj:	Canadian Journal of Chemistry. 56:772-776
ISSN:	1480-3291 0008-4042
DOI:	10.1139/v78-128
Popis:	The microwave rotational spectrum of methylthioacetonitrile has been studied in the frequency range 18–37 GHz. The spectrum found is that of the gauche conformer. The non-observation of the spectrum of the trans conformer indicates that its abundance is less than about 5%. The rotational and centrifugal distortion constants for the ground vibrational state of the gauche conformer are: A = 7715.123 MHz, B = 2641.756 MHz, C = 2174.538 MHz, DK = 0.6824 MHz, DJK = −2.52 kHz, and DJ = 1.96 kHz. The observed rotational constants are compatible with a dihedral angle of 66 ± 5° and a CSC angle of 104 ± 2°. The dipole moment of the gauche conformer has been determined as 3.02 D. Vibrational satellites due to S—CH2 torsion have been observed and a torsional frequency of 101 cm−1 has been estimated from relative intensity measurements.
Databáze:	OpenAIRE
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