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- W2030015552 abstract "Abstract The rovibrational spectrum of the N2–N2O van der Waals complex has been recorded in the N2O ν1 region (∼1285 cm−1) using a tunable diode laser spectrometer to probe a pulsed supersonic slit jet. The observed transitions together with the data observed previously in the N2O ν3 region are analyzed using a Watson S-reduced asymmetric rotor Hamiltonian. The rotational and centrifugal distortion constants for the ground and excited vibrational states are accurately determined. The band-origin of the spectrum is determined to be 1285.73964(14) cm−1. A restricted two-dimensional intermolecular potential energy surface for a planar structure of N2–N2O has been calculated at the CCSD(T) level of theory with the aug-cc-pVDZ basis sets and a set of mid-bond functions. With the intermolecular distance fixed at the ground state value R = 3.6926 A, the potential has a global minimum with a well depth of 326.64 cm−1 at θ N 2 = 11.0° and θ N 2 O = 84.3° and has a saddle point with a barrier height of 204.61 cm−1 at θ N 2 = 97.4° and θ N 2 O = 92.2°, where θ N 2 ( θ N 2 O ) is the enclosed angle between the N–N axis (N–N–O axis) and the intermolecular axis." @default.
- W2030015552 created "2016-06-24" @default.
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- W2030015552 date "2011-02-01" @default.
- W2030015552 modified "2023-09-25" @default.
- W2030015552 title "Rovibrational spectrum and potential energy surface of the N2–N2O van der Waals complex" @default.
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- W2030015552 doi "https://doi.org/10.1016/j.jms.2011.01.003" @default.
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