Microwave Fourier Transform Spectroscopy of Perchloryl Fluoride:19F35/37Cl16O3and19F35/37Cl16O218O

The high resolution infrared bands ν1, ν2, ν4 and ν2+ν5 of F37Cl16O3

“…It can be observed a good agreement between all the calculated r 0 structures. On the contrary, the calculated r e structure in [12], r e (ClO) = 139.67 pm, r e (ClF) = 161.05 pm and a e (OClO) = 115.80°, differ from our results by more than 3r.…”

“…The parameters agree with the corresponding ones from [5], collected for comparison in Table 3. The r e and r 0 structures can also be compared with the corresponding ones calculated using the rotational constants of F 35/ 37 Cl 16 O 2 18 O in addition to those of the symmetric species, presented in Table 5 of [12]. It can be observed a good agreement between all the calculated r 0 structures.…”

“…The anomalous intensity of the m 3 band, which is weak in FCl 16 O 3 spectra but completely disappears in the spectra of FCl 18 O 3 , has been theoretically explained [11]. The study of the ground vibrational state of perchloryl fluoride was extended to the asymmetrically substituted F 35 Cl 16 O 2 18 O and F 37 Cl 16 O 2 18 O isotopologues by Mü ller and Gerry [12]. They used the ground state rotational data to evaluate geometrical parameters of FClO 3 and refined the harmonic force field of the molecule.…”

The 2ν1, 2ν2 and 2ν3 overtones of FClO3

“…These new parameters, together with those already reported [2,4,6,9], could be useful for the determination of the anharmonic force field for FClO 3 . So far only the harmonic force field has been calculated [10].…”

The torsion–rotation spectrum of perchloric acid, HClO4

“…If this assumption is correct, then the principal components of the quadrupole tensor are as given in Table 5 with the quadrupole principal axes tilted 4.4(3)°with respect to the q axes and in a direction toward the Cl-O single bond. The value for v aa may be compared to À19.656 MHz for FClO 3 [39]. The quantity v bb À v cc , 1.818 MHz, is slightly smaller in magnitude than that of HOCl [41], À2.895 MHz, and opposite in sign.…”