Rotational-vibration analysis of the <i>n</i>=0, <i>n</i>ν6+ν1−<i>n</i>ν6 subband in the hydrogen-bonded system 16O 12C ⋅⋅⋅ 1H 19F

Abstract

Thirty-three P(J) branch and 15 R(J) branch transitions associated with the n=0, nν6+ν1−nν6 vibration in 16O 12C ⋅⋅⋅ 1H 19F have been assigned. Rotational constants B, centrifugal distortion constants DJ, rotational-vibrational interaction constant α1, and the frequency of the band origin ν0, have been determined as: B″=0.102 148(14)cm−1; B′=0.104 196(14) cm−1; D″J=3.6(1.8)×10−7 cm−1; D″J=3.8 (1.8)×10−7 cm−1; α1=−61.4(5) MHz; ν0=3844.0294 (50) cm−1. The spectrum is consistent with a linear complex having a hydrogen bond ν6 bending frequency of 75±12 cm−1 and excited state r(C⋅⋅⋅F) distance of 3.012 Å. A lower limit to the excited state lifetime is set at ≥2.8×10−10 s.