Details
Original language | English |
---|---|
Pages (from-to) | 293-309 |
Number of pages | 17 |
Journal | Journal of coordination chemistry |
Volume | 40 |
Issue number | 4 |
Publication status | Published - 1996 |
Abstract
Two manganese(II) complexes with the terdentate ligand 2,6-bis(benzimidazol-2-yl)pyridine, namely [Mn(bzimpy)2(ClO4)2], 1 and [Mn(bzimpy)Cl2]·0.5MeOH, 2, have been investigated by magnetic susceptibility measurements in the temperature range 18 to 300 K. Electron spin resonance has been measured in solid state and frozen solution at 77 K. Parameters for the magnetic contributions to the Hamiltonian obtained by these techniques confirm axial magnetic anisotropy. ACS data are: gav = 1.92 ± 0.04, lD/hcl = 0.9 ± 1.3 cm-1 and gav = 1.89, lD/hcl = 1.4 cm-1 for 1 and 2, respectively. The three found ESR resonances correspond to geff(1) = 1 99, geff(2) = 3.3 and geff(3) = 4.3. The highest field resonance exhibits a hyperfine sextet splitting of lAav/hcl = 92 × 10-4 cm-1 for both complexes. Well resolved forbidden transitions allow for an estimation of the zero-field splitting parameter being D/hc = -0.09 and 0.13 cm-1 for the two complexes, respectively. Ab initio MO-LCAO-SCF calculations on a double-zeta basis set indicate that complex 2 should be more stable than 1. The calculations also yielded information on electronic structure, bond-strengths and charge distribution within the complexes.
Keywords
- Benzimidazole, E.s.r, Magnetochemistry, Manganese(II)
ASJC Scopus subject areas
- Chemistry(all)
- Physical and Theoretical Chemistry
- Materials Science(all)
- Materials Chemistry
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In: Journal of coordination chemistry, Vol. 40, No. 4, 1996, p. 293-309.
Research output: Contribution to journal › Article › Research › peer review
}
TY - JOUR
T1 - Magnetic properties and electronic structure of five- and six-coordinate manganese(II)2,6-bis (benzimidazol-2-yl) pyridine complexes
AU - Linert, Wolfgang
AU - Renz, Franz
AU - Boca, Roman
N1 - Funding Information: Thanks are due to the fonds ‘Zur Forderung der wissenschaftlichen Forschung in Ostereich’ (Project 10818). the Slovak Grant Agency and to the exchange program between Austria and Slovakia (Project 6 Os3) for financial support.
PY - 1996
Y1 - 1996
N2 - Two manganese(II) complexes with the terdentate ligand 2,6-bis(benzimidazol-2-yl)pyridine, namely [Mn(bzimpy)2(ClO4)2], 1 and [Mn(bzimpy)Cl2]·0.5MeOH, 2, have been investigated by magnetic susceptibility measurements in the temperature range 18 to 300 K. Electron spin resonance has been measured in solid state and frozen solution at 77 K. Parameters for the magnetic contributions to the Hamiltonian obtained by these techniques confirm axial magnetic anisotropy. ACS data are: gav = 1.92 ± 0.04, lD/hcl = 0.9 ± 1.3 cm-1 and gav = 1.89, lD/hcl = 1.4 cm-1 for 1 and 2, respectively. The three found ESR resonances correspond to geff(1) = 1 99, geff(2) = 3.3 and geff(3) = 4.3. The highest field resonance exhibits a hyperfine sextet splitting of lAav/hcl = 92 × 10-4 cm-1 for both complexes. Well resolved forbidden transitions allow for an estimation of the zero-field splitting parameter being D/hc = -0.09 and 0.13 cm-1 for the two complexes, respectively. Ab initio MO-LCAO-SCF calculations on a double-zeta basis set indicate that complex 2 should be more stable than 1. The calculations also yielded information on electronic structure, bond-strengths and charge distribution within the complexes.
AB - Two manganese(II) complexes with the terdentate ligand 2,6-bis(benzimidazol-2-yl)pyridine, namely [Mn(bzimpy)2(ClO4)2], 1 and [Mn(bzimpy)Cl2]·0.5MeOH, 2, have been investigated by magnetic susceptibility measurements in the temperature range 18 to 300 K. Electron spin resonance has been measured in solid state and frozen solution at 77 K. Parameters for the magnetic contributions to the Hamiltonian obtained by these techniques confirm axial magnetic anisotropy. ACS data are: gav = 1.92 ± 0.04, lD/hcl = 0.9 ± 1.3 cm-1 and gav = 1.89, lD/hcl = 1.4 cm-1 for 1 and 2, respectively. The three found ESR resonances correspond to geff(1) = 1 99, geff(2) = 3.3 and geff(3) = 4.3. The highest field resonance exhibits a hyperfine sextet splitting of lAav/hcl = 92 × 10-4 cm-1 for both complexes. Well resolved forbidden transitions allow for an estimation of the zero-field splitting parameter being D/hc = -0.09 and 0.13 cm-1 for the two complexes, respectively. Ab initio MO-LCAO-SCF calculations on a double-zeta basis set indicate that complex 2 should be more stable than 1. The calculations also yielded information on electronic structure, bond-strengths and charge distribution within the complexes.
KW - Benzimidazole
KW - E.s.r
KW - Magnetochemistry
KW - Manganese(II)
UR - http://www.scopus.com/inward/record.url?scp=0346162175&partnerID=8YFLogxK
U2 - 10.1080/00958979608024534
DO - 10.1080/00958979608024534
M3 - Article
AN - SCOPUS:0346162175
VL - 40
SP - 293
EP - 309
JO - Journal of coordination chemistry
JF - Journal of coordination chemistry
SN - 0095-8972
IS - 4
ER -