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Volumn 131, Issue 20, 2009, Pages 7112-7125

Structure and property correlations in heavy atom radical conductors

Author keywords

[No Author keywords available]

Indexed keywords

AFM; ANTIFERROMAGNETICS; BAND STRUCTURE CALCULATION; EXTENDED HUCKEL; FIRST PRINCIPLES METHOD; HEAVY ATOMS; HEISENBERG CHAINS; MAGNETIC SUSCEPTIBILITY MEASUREMENTS; MONOCLINIC SPACE GROUPS; PRESSURE INCREASE; SPACE GROUPS; STACKED ARRAYS; STATE CHARACTERIZATION; STRUCTURE AND PROPERTIES; VARIABLE TEMPERATURE; VARIABLE TEMPERATURE CONDUCTIVITY;

EID: 70349145461     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja900853t     Document Type: Article
Times cited : (88)

References (140)
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    • note
    • 1/2(red) is the difference between the half-wave potentials for the oxidation and reduction processes.
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    • The following van der Waals separations were taken from reference 28a: S-S', 3.6; S-Se', 3.7; Se-Se', 3.8 ̊.
    • The following van der Waals separations were taken from reference 28a: S-S', 3.6; S-Se', 3.7; Se-Se', 3.8 ̊.
  • 80
    • 70349118939 scopus 로고    scopus 로고
    • note
    • 2 = Cl) is provided in ref 19. Within a family of radicals 1-4 the SOMOs all display the same nodal features, regardless of the nature of the chalcogen.
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    • note
    • 1/ n) with orbital interactions along the stacking axis in real space.
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    • The exchange equation was modified to include a molecular field correction, which suggested a large secondary AFM term, zJ. Full details of the fits for 2a and 4a are provided in the Supporting Information.
    • The exchange equation was modified to include a molecular field correction, which suggested a large secondary AFM term, zJ. Full details of the fits for 2a and 4a are provided in the Supporting Information.
  • 85
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    • 3, a spin ladder description could also be used. See, for example: Rovira, C. Struct. Bonding (Berlin) 2001, 100, 164.
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    • The following van der Waals separations apply: S-Me', 3.80; SC1', 3.55; C1-C1', 3.50; Se-Me', 3.90; Se-C1', 3.65 Å. This information was compiled from data in ref 28a as well as from
    • The following van der Waals separations apply: S-Me', 3.80; SC1', 3.55; C1-C1', 3.50; Se-Me', 3.90; Se-C1', 3.65 Å. This information was compiled from data in ref 28a as well as from:
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    • Similar approaches for developing magneto-structural correlations have been used elsewhere. See, for example: Ribas-Ariño, J.; Novoa, J. J.; Miller, J. S. J. Mater. Chem. 2006, 16, 2600.
    • (2006) J. Mater. Chem. , vol.16 , pp. 2600
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    • 2 = H, translations along ±x and ±y are equivalent by symmetry.
    • 2 = H, translations along ±x and ±y are equivalent by symmetry.
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    • k, and vice versa.
    • k As illustrated in Figure 7, a positive value of S at k = 0 gives rise to a positive, and vice versa.
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    • 2 = H) are provided in the Supporting Information.
    • 2 = H) are provided in the Supporting Information.
  • 120
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    • note
    • 2) = 0), that is, a jr-dimer.
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* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.