Relationship between proton shielding constants and electric dipole moments in the hydrogen halides†
作者:
H.F. Hameka,
期刊:
Molecular Physics
(Taylor Available online 1959)
卷期:
Volume 2,
issue 1
页码: 64-74
ISSN:0026-8976
年代: 1959
DOI:10.1080/00268975900100061
出版商: Taylor & Francis Group
数据来源: Taylor
摘要:
The proton shielding constants of the hydrogen halides have been calculated employing a molecular wave function built from gauge-invariant atomic orbitals. Each of the molecular wave functions contains a single parameter which is determined from the observed dipole moment. Calculated and experimental values of the shielding constants for HF, HCl, HBr and HI agree to within approximately 10 per cent.
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