Infrared diode laser spectroscopy of the ν2 band of BF3

The high-resolution infrared spectrum of 11BF3 from 400 to 1650cm−1

“…Though the 2m 4 (l = 2) state has the proper symmetry to be observed as a direct transition from the ground state, it was obscured by the m 4 band of 11 BF 2 OH [39] and, moreover, was likely very weak. Table 5 Rovibrational constants in cm À1 for the m 4 , m 2 , m 2 + m 4 , and 2m 4 levels for 11 7 3.55130(60) 3.5444 b 3.5488(80) H J · 10 12 1.2983(51) 1.323(60) 1.204(380) H JK · 10 12 À5.052 (14) À5.153(198) À5.07(33) H KJ · 10 12 6.154 (18) 6.29(28) 6.34(45) H K · 10 12 À2.366 (10) À2.469 b À2.505 b D 0 · 10 13 À0.380(51) À0.70 (24) a The uncertainties (two standard deviations) refer to the last digits and are shown in parentheses.…”

“…The spectrum of m 2 showing some of the hot band clusters observed between the m 2 Q R 12 and Q R 13 clusters for the measurement listed as Q in Table 1. Table 6 Rovibrational constants in cm À1 for the m 1 + m 4 and 2m 2 levels of 11 À5.72 (14) 0.092(42) DD K · 10 9 6.060(72) À1.656(46) DH J · 10 12 À0.020 (16) [0.0] c DH JK · 10 12 À0.044 (24) [0.0] DH KJ · 10 12 [0.0] [0.0] DH K · 10 12 À0.074 (10) [0.0] Cf 4 À0.1303576(10) g J · 10 7 À17.778(31) g K · 10 7 12.235(30) g JJ · 10 11 À0.199(64) g JK · 10 11 À2.407(67) g KK · 10 11 [0.0] q 4 · 10 4 7.1193(19) q 4J · 10 9…”

“…High-resolution spectroscopy on the 11 BF 3 isotopomer has been limited to the tunable diode laser experiments of Yamamoto [13][14][15]. Though diode laser experiments have exquisite sensitivity, they are hampered by non-linearity and reduced spectral range.…”

Ground-state constants, ab initio anharmonic force field, and equilibrium structure of F2BOH

“…In the case of BF 3 , HBO, and H 2 O there are sufficiently accurate experimental equilibrium geometries available [32][33][34][35] that allow for an assessment of the three different estimates. Unfortunately, the structure of the bent BOH molecule [36] has not as yet been determined experimentally.…”

Temperature dependence of the 1J(11B19F) spin–spin coupling in BF3 molecule

“…We use the labels cc-pVXZ-sun, where n defines the number of additional s-functions. The results for 1 J e ( 11 B 19 F) obtained with a series of basis sets for R e = 1.307 Å, the equilibrium B-F bond length derived from experimental data, [17] are collected in Table 1.…”