Microwave Spectrum and Barrier to Internal Rotation in ortho-Tolunitrile.
The microwave rotational spectra of ortho-tolunitrile (C6H4CH3CN) have been investigated in the ground torsional state in the frequency ranges of 22.0-26.0 GHz and 32.0-37.0 GHz. The true rotational constants were determined to be Ar = 2890.98 MHz, Br = 1499.75 MHz, and Cr = 993.58 MHz. A least-squares analysis of the A - E splittings of 16 transitions resulted in the values of V3 = 533.53 cal/mol and thetaa = 54.22 degrees, assuming V6 = 0 and Ialpha = 3.2 a.m.u. Å2. Copyright 1998 Academic Press.
Saha Institute of Nuclear Physics, 1/AF, Calcutta, Bidhannagar, 700 064, India
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