An alternative interpretation of the “anomalous” positive g∥-shift observed for NH4I: Cu2+ |
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Authors: | M Moreno JA Aramburu |
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Institution: | Departamento de Optica y Estructura de la Materia, Facultad de Ciencias, Universidad de Santander, Santander, Spain |
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Abstract: | It is shown that the positive g∥-shift observed for two centers in NH4I : Cu2+ with compressed octahedral geometry can be reasonably understood within a molecular orbital picture for a true C4v complex. Following this explanation, which discards the vibronic admixture mechanism proposed by Chand and Upreti, the positive g∥ - g0 value arises from a charge-transfer contribution to g∥ - g0 similar to that of d7 ions in strong-field situations. |
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