Quality control: Another step in the maturation of computer use

Moore, John W.; Moore, Elizabeth A.

doi:10.1021/ed063p248

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“…A second method was proposed by Moore and co-workers, 39 who assumed that the two inner lines (third and fourth central transition) are separated by A/gˇ. By approximating g to 2, a value of A 0 of 94.4 G can be calculated.…”

Section: Magnetic Parameters Of Mn 2+ Ion In Calcitementioning

confidence: 99%

Determination of the hyperfine coupling constant and zero‐field splitting in the ESR spectrum of Mn²⁺ in calcite

Garribba

Micera

2005

Magnetic Reson in Chemistry

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The hyperfine coupling constant (A in units of energy or A' in units of magnetic field) and zero-field splitting (D in units of energy or D' in units of magnetic field) in the ESR spectrum of Mn(2+) in calcite were determined. The spreading of the non-central allowed transitions |3/2, m --> |5/2, m, |1/2, m --> |3/2, m, |-3/2, m --> |-1/2, m and |-5/2, m --> |-3/2, m was analysed and the experimental transitions were attributed. Particular relevance was given to the difference between the two types of resonances, shoulder or divergence, and to their origin (M, m). The analysis explains the presence of a weak shoulder between each of the five central doublets |-1/2, m --> |1/2, m. Six independent methods for calculating the hyperfine coupling constant and five methods for calculating the zero-field splitting, based on the analysis of the allowed and forbidden transitions, were provided. The values of the hyperfine coupling constant range from -93.9 to -94.6 G and those of the zero-field splitting range from -79.5 to -80.5 G. A critical evaluation of the advantages and drawbacks of the 11 methods is included: the best value for A' is -94.30 G and that for D' is -79.95 G.

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Section: Magnetic Parameters Of Mn 2+ Ion In Calcitementioning

confidence: 99%

Determination of the hyperfine coupling constant and zero‐field splitting in the ESR spectrum of Mn²⁺ in calcite

Garribba

Micera

2005

Magnetic Reson in Chemistry

View full text Add to dashboard Cite

show abstract

Quality control: Another step in the maturation of computer use

Abstract: 69. Several recent talks about computer software for chemistry courses have encouraged the authors to give pause to what has been accomplished and what needs more work.

Cited by 1 publication

References 3 publications

Determination of the hyperfine coupling constant and zero‐field splitting in the ESR spectrum of Mn²⁺ in calcite

Determination of the hyperfine coupling constant and zero‐field splitting in the ESR spectrum of Mn²⁺ in calcite

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Quality control: Another step in the maturation of computer use

Abstract: 69. Several recent talks about computer software for chemistry courses have encouraged the authors to give pause to what has been accomplished and what needs more work.

Cited by 1 publication

References 3 publications

Determination of the hyperfine coupling constant and zero‐field splitting in the ESR spectrum of Mn2+ in calcite

Determination of the hyperfine coupling constant and zero‐field splitting in the ESR spectrum of Mn2+ in calcite

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Determination of the hyperfine coupling constant and zero‐field splitting in the ESR spectrum of Mn²⁺ in calcite

Determination of the hyperfine coupling constant and zero‐field splitting in the ESR spectrum of Mn²⁺ in calcite