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Br nuclear quadrupole and H,Br nuclear-spin-nuclear-spin coupling in the rotational spectrum of H2O…HBr

1988; Elsevier BV; Volume: 150; Issue: 1-2 Linguagem: Inglês

10.1016/0009-2614(88)80413-5

1873-4448

A. C. Legon, A. P. Suckley,

Spectroscopy and Laser Applications

Partially resolved hyperfine structure arising from H,Br nuclear-spin-nuclear-spin coupling has been identified in each Br-nuclear quadrupole component of the 101←000 transition of H2O…HBr. Lineshape simulation leads to a value of Daa= −23 (2) kHz for the spin-spin coupling constant for both H2O…H79Br and H2O…H81Br. An apparent inconsistency between this value and the respective Br-nuclear quadrupole coupling constants χaa= 424.326 (9) and 354.490 (2) MHz is resolved by allowing for the influence of the H2O electric charge distribution on the value of χaa.