Y. Niide, I. Ohkoshi, M. Takano
Mar 1, 1987
Citations
0
Influential Citations
12
Citations
Journal
Journal of Molecular Spectroscopy
Abstract
Abstract The molecular rotational spectrum of 1-iodopropane ( n -propyl iodide) has been investigated in the frequency region 9–33 GHz. The 1-iodopropane molecule has been confirmed to exist in two rotational isomers, trans and gauche . The rotational constants of the ground state were determined to be A = 10 595.450(60) MHz, B = 1781.669(8) MHz, and C = 1614.200(7) MHz for gauche , and B = 1305.247(8) MHz and C = 1269.365(7) MHz for trans . The nuclear quadrupole coupling constants were determined to be χ aa = −1020(3) MHz, χ bb = 193(2) MHz, χ cc = 827(4) MHz, χ ab = 1173(2) MHz, χ ac = −369(7) MHz, and χ bc = 230(5) MHz for gauche , and χ aa = −1509(8) MHz, χ bb = 610(9) MHz, χ cc = 899(12) MHz, and χ ab = −789(9) MHz for trans . The centrifugal distortion constants were also determined using all of the assigned transitions. From the relative intensity measurements the skeletal torsional frequencies for the gauche and trans forms were estimated to be 117 and 108 cm −1 , respectively.