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• W2046202413 abstract "Several accurate experimental values of the rovibrational interaction constants αC and αB, the harmonic wave-number parameters ωij, and the anharmonicity xij and gij constants have been extracted from the most recent high-resolution Fourier transform infrared (FTIR), centimeter-wave (CMW) and millimeter-wave (MMW) measurements in the spectra of the oblate symmetric top molecule 14NF3. The data used are those of the four fundamental, the overtone, the combination and the hot bands identified and analyzed in the range between 400 cm−1 and 2000 cm−1. Combining the recent experimental values of the constants αC and αB, with the accurate experimental ground state rotational constants C0 and B0, new equilibrium rotational constants have been evaluated: Ce = 0.1968006 (26) cm−1 and Be = 0.358981442 (43) cm−1 for the pyramidal molecule NF3, from which the following equilibrium structure is obtained: re(F-N) = 1.36757 (58) Å; θe(FNF) = 101.8513 (10)°. This experimental equilibrium geometry is in excellent agreement with the recent structure determined by ab initio calculations at the CCSD(T)/aug-cc-pVQZ level of theory." @default.
• W2046202413 created "2016-06-24" @default.
• W2046202413 creator A5028897968 @default.
• W2046202413 date "2015-06-01" @default.
• W2046202413 modified "2023-10-18" @default.
• W2046202413 title "Experimental values of the rotational and vibrational constants and equilibrium structure of nitrogen trifluoride" @default.
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• W2046202413 doi "https://doi.org/10.1016/j.jms.2015.02.002" @default.
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