DOI: 10.1063/1.1696044. Mössbauer Studies of Iron Organometallic Complexes. IV. Sign of the Electric-Field Gradient in Ferrocene

Mössbauer Studies of Iron Organometallic Complexes. IV. Sign of the Electric-Field Gradient in Ferrocene

10.1063/1.1696044

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

The quadrupole splitting of 57Fe Mössbauer spectra gives the magnitude, but not the sign, of the electric-field gradient. The sign can be determined by magnetically perturbing the energy levels, such that one line splits into a triplet and the other line splits into a doublet. A first-order perturbation treatment for the axially symmetric electric-field gradient case is given for powdered samples. The method is applied to ferrocene, which has been the subject of many theoretical papers. A crystal-field treatment predicts a positive efg, and molecular orbital treatments predict negative efg's. At 40 kG applied, the two lines split clearly into a doublet and a triplet. The result agrees with the MO treatment. This also explains the essential vanishing of the efg in ferrocinium compounds.

Bibliography

Collins, R. L. (1965). MÃ¶ssbauer Studies of Iron Organometallic Complexes. IV. Sign of the Electric-Field Gradient in Ferrocene. The Journal of Chemical Physics, 42(3), 1072â1080.

Authors 1

R. L. Collins (first)

References 17 Referenced 187

{'key': '2024020823171741000_r1'}
10.1016/S0081-1947(08)60105-8 / Solid State Phys. (1957)
10.1103/RevModPhys.36.351 / Rev. Mod. Phys. (1964)
10.1103/RevModPhys.36.351 / Rev. Mod. Phys. (1964)
{'key': '2024020823171741000_r5', 'first-page': '102', 'volume': '80', 'year': '1950', 'journal-title': 'Phys. Rev.'} / Phys. Rev. (1950)
10.1103/PhysRev.84.244 / Phys. Rev. (1951)
10.1103/PhysRev.92.1460 / Phys. Rev. (1953)
10.1103/PhysRev.93.734 / Phys. Rev. (1954)
10.1103/PhysRev.102.731 / Phys. Rev. (1956)
10.1103/PhysRev.128.2207 / Phys. Rev. (1962)
10.1103/RevModPhys.31.711 / Rev. Mod. Phys. (1959)
{'key': '2024020823171741000_r8'}
10.1016/0031-9163(63)90184-7 / Phys. Letters (1963)
{'key': '2024020823171741000_r10', 'first-page': '2023', 'volume': '81', 'year': '1959', 'journal-title': 'J. Am. Chem. Soc.'} / J. Am. Chem. Soc. (1959)
{'issue': '5', 'key': '2024020823171741000_r11', 'volume': '33', 'year': '1961', 'journal-title': 'Mat. Fys. Medd. Dan. Vid. Selsk.'} / Mat. Fys. Medd. Dan. Vid. Selsk. (1961)
{'key': '2024020823171741000_r12', 'first-page': '1234', 'volume': '128', 'year': '1959', 'journal-title': 'Dokl. Akad. Nauk. SSSR'} / Dokl. Akad. Nauk. SSSR (1959)
10.1007/BF01377953 / Z. Physik (1962)

Dates

Type	When
Created	20 years, 7 months ago (Jan. 10, 2005, 10:16 a.m.)
Deposited	1 year, 6 months ago (Feb. 8, 2024, 6:17 p.m.)
Indexed	3 months ago (May 26, 2025, 6:41 a.m.)
Issued	60 years, 7 months ago (Feb. 1, 1965)
Published	60 years, 7 months ago (Feb. 1, 1965)
Published Print	60 years, 7 months ago (Feb. 1, 1965)

Funders 0

None

BibTeX

@article{Collins_1965, title={Mössbauer Studies of Iron Organometallic Complexes. IV. Sign of the Electric-Field Gradient in Ferrocene}, volume={42}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.1696044}, DOI={10.1063/1.1696044}, number={3}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Collins, R. L.}, year={1965}, month=feb, pages={1072–1080} }

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