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A Calculation of the ESR Parameters of the Hydrogen Bonded Complex Radical (H2NO ... HF)

M. Žaucer ; Chemical Institute »Boris Kidric« and Department of Chemistry, University of Ljubljana, 61000 Ljubljana, Slovenia, Yugoslavia
E. Zakrajšek ; Chemical Institute »Boris Kidric« and Department of Chemistry, University of Ljubljana, 61000 Ljubljana, Slovenia, Yugoslavia
J. Koller ; Chemical Institute »Boris Kidric« and Department of Chemistry, University of Ljubljana, 61000 Ljubljana, Slovenia, Yugoslavia
A. Ažman ; Chemical Institute »Boris Kidric« and Department of Chemistry, University of Ljubljana, 61000 Ljubljana, Slovenia, Yugoslavia


Puni tekst: engleski pdf 2.646 Kb

str. 289-292

preuzimanja: 152

citiraj


Sažetak

The isotropic constant (a) and the dipolar tensor (B) have
been calculated for the radical H2NO bonded to HF. The semiempirical
SCF (INDO) method has been used to describe the electronic
configuration of the complex radical H2NO ... HF. It is
suggested that a and B of the proton from HF are amenable to
experimental verification.

Ključne riječi

Hrčak ID:

197275

URI

https://hrcak.srce.hr/197275

Posjeta: 280 *