The effects of nitrogen inversion tunneling, methyl internal rotation, and 14N quadrupole coupling observed in the rotational spectrum of diethyl amine - Archive ouverte HAL Accéder directement au contenu
Article Dans Une Revue Journal of Chemical Physics Année : 2011

The effects of nitrogen inversion tunneling, methyl internal rotation, and 14N quadrupole coupling observed in the rotational spectrum of diethyl amine

Résumé

The rotational spectrum of diethyl amine as observed by molecular beam Fourier transform microwave spectroscopy shows splittings due to nitrogen inversion, 14N quadrupole coupling, and internal rotation of the methyl groups. The rotational constants of diethyl amine were determined to be A = 17.61499170(11) GHz, B = 2.103650248(49) GHz, and C = 1.981332501(47) GHz. From the separation between the lowest symmetric and antisymmetric inversion energy level of E = 760.77062(20) MHz a barrier to inversion, using a standard analytical model potential, of 1531 cm−1 (18.31 kJ/mol) was deduced. The 14N quadrupole coupling constants were found to be χaa = 2.67576(37) MHz, χbb − χcc = 4.34144(65) MHz, and |χbc| = 2.9199(92) MHz. The internal rotation of two equivalent methyl groups gave rise to very narrow multiplets; the torsional barrier was determined to be 1051.74(57) cm−1. The experimental results were supplemented by quantum chemical calculations.
Fichier principal
Vignette du fichier
DEA_HAL.pdf (758.81 Ko) Télécharger le fichier
Origine : Fichiers produits par l'(les) auteur(s)

Dates et versions

hal-03183170 , version 1 (27-03-2021)

Identifiants

Citer

Ha Vinh Lam Nguyen, Wolfgang Stahl. The effects of nitrogen inversion tunneling, methyl internal rotation, and 14N quadrupole coupling observed in the rotational spectrum of diethyl amine. Journal of Chemical Physics, 2011, 135 (2), pp.024310. ⟨10.1063/1.3607992⟩. ⟨hal-03183170⟩
12 Consultations
94 Téléchargements

Altmetric

Partager

Gmail Facebook X LinkedIn More