Nuclear modulation effects in high‐spin electron systems with small zero‐field splittings

1992 ◽  
Vol 97 (5) ◽  
pp. 3072-3091 ◽  
Author(s):  
Alan R. Coffino ◽  
Jack Peisach
Keyword(s):  
High Spin ◽  
Zero Field ◽  
Electron Systems ◽  
Small Zero ◽  
Nuclear Modulation

Multi-frequency EPR determination of zero field splitting of high spin species in liquids: Gd(III) chelates in water

1998 ◽  
Vol 95 (6) ◽  
pp. 1325-1332 ◽  
Author(s):  
R. B. CLARKSON ◽  
ALEX I. SMIRNOV ◽  
T. I. SMIRNOVA ◽  
H. KANG ◽  
R. L. BELFORD ◽  
...  
Keyword(s):  
High Spin ◽  
Zero Field ◽  
Zero Field Splitting ◽  
Field Splitting ◽  
Spin Species

An ab initio MO study of heavy atom effects on the zero-field splitting tensors of high-spin nitrenes: how the spin–orbit contributions are affected

2014 ◽  
Vol 16 (19) ◽  
pp. 9171-9181 ◽  
Author(s):  
Kenji Sugisaki ◽  
Kazuo Toyota ◽  
Kazunobu Sato ◽  
Daisuke Shiomi ◽  
Masahiro Kitagawa ◽  
...  
Keyword(s):  
Ab Initio ◽  
High Spin ◽  
Heavy Atom ◽  
Zero Field ◽  
Spin Orbit ◽  
Zero Field Splitting ◽  
Field Splitting ◽  
Ab Initio Mo

The CASSCF and hybrid CASSCF–MRMP2 methods reproduce the ZFS tensors of spin-septet 2,4,6-trinitrenopyridines, focusing on the heavy atom effects on the spin–orbit terms of the tensors.

scholarly journals Magnetization curves of haemoproteins measured by low-temperature magnetic-circular-dichroism spectroscopy

1980 ◽  
Vol 191 (2) ◽  
pp. 411-420 ◽  
Author(s):  
A J Thomson ◽  
M K Johnson
Keyword(s):  
Circular Dichroism ◽  
Cytochrome C ◽  
High Spin ◽  
Ground State ◽  
Magnetic Circular Dichroism ◽  
Striking Difference ◽  
Zero Field ◽  
Magnetization Curves ◽  
Horse Heart Cytochrome ◽  
Circular Dichroïsm

The magnetic-circular-dichroism (m.c.d.) spectra of methymyoglobin cyanide and oxidized horse heart cytochrome c were measured in the region of the Soret band over a range of temperatures from 1.5 to 50 K and in fields from 0 to 5T. A similar study has been made with reduced bovine heart cytochrome c oxidase, which contains one high-spin ferrous haem, namely a3. M.c.d. magnetization curves characteristic of an isolated Kramer's ground state with spin S = 1/2. These curves contrast with the magnetization curve of the high-spin ferrous haem with spin S = 2. The electronic ground state of the latter compound contains zero-field components that are thermally accessible over the temperature range of the experiment. Hence the magnetization curves are a complex nested set. The magnetization curves of the S = 1/2 proteins were analysed and it is shown that it is possible to make estimates of the ground-state g-factors even in the presence of rhombic anisotropy, provided that some knowledge of the polarizations of the electronic transitions is available. The striking difference between the m.c.d. magnetization curves of a simple S = 1/2 paramagnet and magnetically complex ground state should prove extremely useful when m.c.d. spectroscopy is sued to probe the magentic properties of metal centres in proteins, and should have wide application beyond the field of haemoproteins.

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