Vibronic intensities in the electronic spectra of transition metal ions

Acevedo, R.; Flint, Colin

doi:10.1080/00268978300101771

Cited by 21 publications

(13 citation statements)

References 31 publications

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“…The L matrices were taken from [1], results for the other force fields included in [1][2][3] are available from the authors. For the crystal field contribution a question arises over the magnitude of the effective charge q on the ligand.…”

Section: Resultsmentioning

confidence: 99%

“…In recent papers [1][2][3] we have evaluated the relative vibronic intensity distribution for the vibronic origins of the 4A2g-* 4T2g transition of the MnF62-ion due to the v3(tlu), v4(tlu ) and v6(t2u ) vibrational modes. Both crystal field and ligand polarization contributions and the cross term between them were considered for a variety of vibrational force fields and d-electron radial functions.…”

Section: Introductionmentioning

confidence: 99%

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Vibronic intensities in the electronic spectra of transition metal ions

Acevedo¹,

Flint²

1986

Molecular Physics

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The electric dipole vibronic intensities due to the three odd parity vibrational modes of the 4A2g---~ 4Tlo(t2e ) transition of the octahedral complex ion MnF 2-have been evaluated using a combination of crystal field and ligand polarization methods. Several different force fields and radial functions have been employed. For the ligand polarization term, coupling of the induced ligand dipole to bofh the metal electric quadrupole and the electric hexadecapole are considered. Whilst the crystal field and these two ligand polarization contributions to the total vibronic intensity are all within a factor of ten, they each contribute to different vibronic origins. This shows that for this ion it is not sufficient to truncate the expansion of the metal ion electric multipole moment at the leading term.

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Section: Resultsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Vibronic intensities in the electronic spectra of transition metal ions

Acevedo¹,

Flint²

1986

Molecular Physics

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“…Explicit calculations of the relative intensities of these modes [29] in the MnF 6 2À ion using both the formalism due to Liehr and Ballhausen [30] and the closure method of Koide and Price [31] had shown the sensitivity of the vibronic intensity distribution to the assumed force field. The u 4 and u 3 vibronic origins of EuCl 6 3À clearly show the transverse optic -longitudinal optic splitting [32] as expected in this pure compound.…”

Section: Lanthanide Elpasolitesmentioning

confidence: 99%

Early Days in Kemisk Laboratorium IV and Later Studies

Flint

2011

Molecular Electronic Structures of Transition Metal Complexes I

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“…We have presented calculations of the relative intensities of the vibronic origins of the 2Eg~--~gA20 transition of the octahedral MnF62-ion using crystal field [1] and ligand polarization [2] models. The total transition moment for each vibronic origin is the vector sum of contributions from the two models.…”

Section: Introductionmentioning

confidence: 99%

Evaluation of the crystal field-closure-ligand polarization interference term for the vibronic intensities of centrosymmetric coordination compounds

Acevedo¹,

Flint²

1985

Molecular Physics

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A reexamination of the relative phases of the crystal field-closure and ligand polarization contributions to the intensities of individual vibronic origins shows that the interference term is appreciable and positive for the v3, v 4 and v 6 vibronic origins of the 4A2g*-*4T2g transition of the MnF62-ion. We had previously reported that this term was identically zero for v 6 but this error arose from the use of an inconsistent choice of phases in the v 6 symmetry coordinate. A corrected table of computed dipole strengths and relative vibronic intensities is given which is in excellent agreement with experiment.

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Vibronic intensities in the electronic spectra of transition metal ions

Cited by 21 publications

References 31 publications

Vibronic intensities in the electronic spectra of transition metal ions

Vibronic intensities in the electronic spectra of transition metal ions

Early Days in Kemisk Laboratorium IV and Later Studies

Evaluation of the crystal field-closure-ligand polarization interference term for the vibronic intensities of centrosymmetric coordination compounds

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