Infrared Absorption Spectra of B2O3, B2O2, and BO2 in Solid Argon Matrices

Abstract

The infrared absorption spectra of B2O3, B2O2, and BO2 isolated in solid argon matrices have been investigated in the region 350–4000 cm—1. The visible absorption spectrum of matrix-isolated BO2 was observed in the region 4000–5500 Å. The gaseous species were generated in a high-temperature effusion cell and trapped under conditions of moderate to high dilution in solid argon matrices at approximately 4°K. Bands were found at 1955, 1921, 1899, 1323, and 1276 cm—1 in the infrared spectra of B210O2, B10B11O2, B211O2, and B10O2, and B11O2, respectively. For both B210O3 and B211O3 infrared spectra of the most dilute matrices show seven distinct bands in the region 450–2100 cm—1. Six of these can be readily assigned as fundamentals and their relative intensities explained if the known ``V'' structure of B2O3 is supposed to have a larger apex angle than that determined by electron diffraction, and the correlation of the normal vibrations and selection rules with those for the linear symmetric (D∞h) model is considered. With additional help from the measured B10–B11 isotope shifts and force constant calculations the following complete assignment was obtained (all frequencies in cm—1): B210O3: 2128(A1),733(A1),536(A1);[172](A1),or [260](A1);[476](A2) 2128(B1),1242(B1),471(B1);493(B2);B211O3: 2060(A1),729(A1),518(A1),[172](A1), or [259](A1);[456](A2),2060(B1),1239(B1),454(B1);477(B2);where the bracketed frequencies were not observed directly. Thermal functions have been computed for B2O3 and compared with the available calorimetric data. Structural parameters and a complete vibrational assignment have been estimated for B2O2. The infrared and green bands observed for BO2 are in agreement with the high-resolution results of Johns. Thermal functions for B2O2 and BO2 have also been computed.

In situ infrared (FTIR) study of the mechanism of the borohydride oxidation reaction

“…Similar bands were reported by Andrews et al in the wavenumber region 1182 o n o 1208 cm À1 . 27 The other bands present in the spectrum of Na 2 B 4 O 7 Á10H 2 O aqueous solution (1325 and 960 cm À1 ) were assigned to the stretching mode of the B-O bond in BO 2 molecule, [31][32][33][34] and to the degenerate deformation mode in B-OH group. 35,36 B-H absorption bands for the NaBH 4 molecule are clearly visible in Fig.…”

“…4(c)). They are assigned to the B-O stretching mode of the BO 2 molecule (linear symmetry) and to the asymmetric B-O stretching mode in the nearly linear molecule B-O-B, respectively 27,29,[31][32][33][34] .y These absorptions do not present any potential dependence. At this point, we highlight that we did not directly monitor the absorption bands corresponding to the final product of the BOR (BO À…”

Photoelectron spectroscopy and density functional calculations of FenBO2− clusters

“…The BO 2 radical is a prototypical linear Renner-Teller molecule, and its spectroscopy has been studied extensively in the past decades. [23][24][25][26][27][28][29][30][31][32][33][34][35][36][37][38][39][40] Due to the involvement of Renner-Teller effect, spin-orbit coupling, Fermi resonance, and anharmonicities, the spectroscopy of BO 2 is very complex and cannot be interpreted successfully with only simple theoretical treatments. For this reason, BO 2 has been considered as an ideal molecule for the theoretical study of triatomic molecules.…”

Ionic to covalent bonding: a density functional theory study of linear and bent X2Y3 monomers (X = B, Al, Ga, In; Y = O, S, Se)

“…The matrixisolation techniques [8,9] are used to trap these molecules on inert surfaces. The IR spectroscopic investigations on these matrices have identified B 2 O 3 [10,11], B 2 S 3 [12] and Al 2 S 3 [13] as bent species with C 2v symmetry, and Al 2 O 3 as linear [7] with D ∞h symmetry. In addition, theoretical studies using ab initio MO [13b, [14][15][16] In the present paper, we shall discuss linear and non-linear Y-X-Y-X-Y structures to obtain a general picture on the periodic variations in structure and bonding.…”