The spectroscopic analysis of the v₂=1, v₅=1, and v₃=v₆=1 infrared vibration system of H₃SiI.

The ν2 (A1)/ν5 (E)/ν3+ν6 (E) band system of H3(28)SiI was investigated using Fourier transform infrared spectra recorded from 820 to 1100 cm(-1) at a resolution of 2.0×10(-3) cm(-1). In total, 11,903 transitions were assigned.

The experimental equilibrium structure of acetylene.

The empirical equilibrium structure of acetylene has been derived by exploiting the very precise experimental rotational constants available in the literature for the 10 isotopologues relative to all the possible combinations of H, D, (12)C and (13)C atoms. The geometry obtained when data for all species are fitted together is: re(CH) = 106.167(14) pm and re(CC) = 120.

The infrared spectrum of (12)C2D2: the stretching-bending band system up to 5500 cm(-1).

The infrared spectrum of the perdeuterated acetylene, (12)C2D2, has been recorded from 900 cm(-1) to 5500 cm(-1) by Fourier transform spectroscopy at a resolution ranging between 0.004 and 0.009 cm(-1).

Ab initio quartic force field of stannane and rotational analysis of the ν1 infrared band of H(120)SnD3.

Stannane, SnH(4), has been studied both theoretically, using high-level ab initio methods, and experimentally, using high-resolution spectroscopy to analyze the Sn-H stretching fundamental band of the H(120)SnD(3) isotopologue. The geometry and the anharmonic force field of the molecule have been calculated ab initio, using the coupled-cluster with single, double, and perturbative triple excitations level of theory. H(120)SnD(3), present as minor isotopologue in (120)SnD(4), has been studied by Fourier transform spectroscopy at an effective resolution of ca.

Ab initio anharmonic force field and rotational analyses of infrared bands of perchloryl fluoride.

Perchloryl fluoride, FClO(3), has been studied both experimentally and theoretically, using high-resolution Fourier transform spectroscopy and high-level ab initio methods. The geometry, dipole moment, and anharmonic force field of the molecule have been calculated ab initio, using the coupled-cluster with single, double, and perturbative triple excitations [CCSD(T)] level of theory. The infrared spectra of monoisotopic species have been recorded.