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Volumn 16, Issue 24, 2010, Pages 7215-7223

Photomagnetic switching of heterometallic complexes [M(dmf) 4(H2O)3(μ-CN)Fe(CN)5] · H2O (M = Nd, La, Gd, Y) analyzed by single-crystal X-ray diffraction and Ab initio theory

Author keywords

Charge transfer; Heterometallic complexes; Magnetic properties; Structure elucidation; X ray diffraction

Indexed keywords

AB INITIO THEORETICAL CALCULATIONS; AB INITIO THEORY; CHARGE TRANSFER STATE; CYANO GROUPS; GROUND STATE GEOMETRY; HETEROMETALLIC COMPLEXES; IRON ATOMS; LANTHANIDE ION; LANTHANIDES; PHOTOMAGNETIC EFFECTS; PHOTOMAGNETIC SWITCHING; SINGLE CRYSTAL X-RAY DIFFRACTION; SPIN STATE; STRUCTURE ELUCIDATION; UNIT-CELL PARAMETERS; UNPAIRED ELECTRONS; UV ILLUMINATIONS;

EID: 77953862009     PISSN: 09476539     EISSN: 15213765     Source Type: Journal    
DOI: 10.1002/chem.200902997     Document Type: Article
Times cited : (28)

References (53)
  • 32
    • 70349932587 scopus 로고    scopus 로고
    • Angew. Chem. Int. Ed. 2009, 48, 2780-2783.
    • (2009) Angew. Chem. Int. Ed. , vol.48 , pp. 2780-2783
  • 37
    • 70349898718 scopus 로고    scopus 로고
    • Angew. Chem. Int. Ed. 2009, 48, 5711-5714.
    • (2009) Angew. Chem. Int. Ed. , vol.48 , pp. 5711-5714
  • 41
    • 77953864703 scopus 로고    scopus 로고
    • For the charge transfer states, the natural orbital occupancy numbers are (1.93, 1.00, 0.99, 0.07, 0.01) and (1.00, 1.00, 1.00, 1.00, 0.00, 0.00, 0.00) for the two orbital spaces, respectively, while the corresponding values for the regular states are (1.97,1.96, .1.00, 0.04, 0.03) and (1.00,1.00,1.00, 0.00, 0.00, 0.000.00)
    • For the charge transfer states, the natural orbital occupancy numbers are (1.93, 1.00, 0.99, 0.07, 0.01) and (1.00, 1.00, 1.00, 1.00, 0.00, 0.00, 0.00) for the two orbital spaces, respectively, while the corresponding values for the regular states are (1.97,1.96, .1.00, 0.04, 0.03) and (1.00,1.00,1.00, 0.00, 0.00, 0.00,0.00).


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.