Electric field gradient tensors in CuBr2

摘要: The NQR spectrum of polycrystalline CuBr2 has been obtained at 20°C. Absorption was detected for 65Cu (28.18±0.01 MHz), 63Cu (30.37±0.01 81Br (70.10±0.05 and 79Br (83.98±0.05 MHz). halogen resonances are discussed in the light theory Townes Dailey without neglecting contribution ionic charges antishielding. In this approach electric field gradient tensor is seen to depend on ionicity Cu−Br bonds value antishielding factor Br− ions. relation between two parameters cases, where experimental frequencies reproduced, derived. With calculated by Sternheimer would indicate an 90%, while purely limit 93.8 must be assumed. presence finite amounts covalency evidenced copper resonances. Thus, observed coupling strength ions only about 50% a ...