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Volumn 47, Issue 18, 2008, Pages 7954-7956

Seven-coordinate ruthenium atoms sequestered in praseodymium clusters in the chloride {RuPr3}Cl3

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EID: 52949103257     PISSN: 00201669     EISSN: None     Source Type: Journal    
DOI: 10.1021/ic800907c     Document Type: Article
Times cited : (17)

References (26)
  • 3
    • 36048966234 scopus 로고    scopus 로고
    • Simon, A.; Mattausch, Hj.; Miller, G. J.; Bauhofer, W.; Kremer, R. K. Metal Rich Halides. In Handbook on the Physics and Chemistry of Rare Earths; Elsevier Science Publishers: Amsterdam, The Netherlands, 1991; 15, p 191.
    • Simon, A.; Mattausch, Hj.; Miller, G. J.; Bauhofer, W.; Kremer, R. K. Metal Rich Halides. In Handbook on the Physics and Chemistry of Rare Earths; Elsevier Science Publishers: Amsterdam, The Netherlands, 1991; Vol. 15, p 191.
  • 5
    • 36049045676 scopus 로고    scopus 로고
    • Meyer, G.; Wickleder, M. S. Simple and Complex Halides. In Handbook on the Physics and Chemistry of Rare Earths; Elsevier Science Publishers: Amsterdam, The Netherlands, 2000; 28, p 53.
    • Meyer, G.; Wickleder, M. S. Simple and Complex Halides. In Handbook on the Physics and Chemistry of Rare Earths; Elsevier Science Publishers: Amsterdam, The Netherlands, 2000; Vol. 28, p 53.
  • 9
    • 52949089408 scopus 로고    scopus 로고
    • Demir, S. Diplomarbeit, Universität zu Köln, Köln, Germany, 2007.
    • Demir, S. Diplomarbeit, Universität zu Köln, Köln, Germany, 2007.
  • 16
    • 52949116149 scopus 로고    scopus 로고
    • 3 (synthesized by the ammonium chloride route and purified as described previously), 85.5 mg of Pr (Chempur, Karlsruhe, Germany, 99.9%), and 40.8 mg of Ru (Merck, Darmstadt, Germany, 99.9%) was filled in a tantalum ampule, which was He-arc-sealed and jacketed with a silica ampule. The temperature program used was as follows: 1000°C for 5 days and cooling at 2°C/h to 700°C and then at 10°C/h to room temperature. All manipulations were carried out under strict exclusion of air and especially moisture in a drybox (MBraun, Garching, Germany). Black crystals were selected under a microscope in a drybox and sealed in thin-walled glass capillaries.
    • 3 (synthesized by the ammonium chloride route and purified as described previously), 85.5 mg of Pr (Chempur, Karlsruhe, Germany, 99.9%), and 40.8 mg of Ru (Merck, Darmstadt, Germany, 99.9%) was filled in a tantalum ampule, which was He-arc-sealed and jacketed with a silica ampule. The temperature program used was as follows: 1000°C for 5 days and cooling at 2°C/h to 700°C and then at 10°C/h to room temperature. All manipulations were carried out under strict exclusion of air and especially moisture in a drybox (MBraun, Garching, Germany). Black crystals were selected under a microscope in a drybox and sealed in thin-walled glass capillaries.
  • 20
    • 52949147895 scopus 로고    scopus 로고
    • 0)] 0.0392/0.0974, for all data 0.0589/0.1030; GOF = 1.368.
    • 0)] 0.0392/0.0974, for all data 0.0589/0.1030; GOF = 1.368.
  • 25
    • 52949098079 scopus 로고    scopus 로고
    • Semi-empirical extended Hückel calculations (EH) were performed with the program package CAESAR [Ren, J, Liang, W, Whangbo, M.-H. CAESAR; PrimeColor Software Inc, Raleigh, NC, 1998, using double-ζ functions with the following parameters: Hij [eV, ζ1, coefficient 1, ζ2, coefficient 2. For Pr: 6s, 5.69, 1.7, 0.5671, 1.0, 0.5503; 6p, 2.88, 1.34, 1.0, 0.0, 0.0; 5d, 6.4, 2.55, 0.52, 1.2, 0.64; 4f, 6.12, 8.9, 0.4172, 4.35, 0.729. For Ru: 5s, 8.43, 1.95, 0.5538, 1.05, 0.5668; 5p, 3.49, 1.42, 1.0, 0.0, 0.0; 4d, 10.1, 3.45, 0.5394, 1.5, 0.6062. For Cl: 3s, 26.67, 2.9, 0.6262, 1.75, 0.5051; 3p, 13.85, 2.45, 0.5554, 1.3, 0.5519. COOP analysis (Wijeyesekera, S, Hoffmann, R. Organometallics 1984, 3, 949) was used to interpret the chemical bonding
    • 2, coefficient 2. For Pr: 6s, -5.69, 1.7, 0.5671, 1.0, 0.5503; 6p, -2.88, 1.34, 1.0, 0.0, 0.0; 5d, -6.4, 2.55, 0.52, 1.2, 0.64; 4f, -6.12, 8.9, 0.4172, 4.35, 0.729. For Ru: 5s, -8.43, 1.95, 0.5538, 1.05, 0.5668; 5p, -3.49, 1.42, 1.0, 0.0, 0.0; 4d, -10.1, 3.45, 0.5394, 1.5, 0.6062. For Cl: 3s, -26.67, 2.9, 0.6262, 1.75, 0.5051; 3p, -13.85, 2.45, 0.5554, 1.3, 0.5519. COOP analysis (Wijeyesekera, S.; Hoffmann, R. Organometallics 1984, 3, 949) was used to interpret the chemical bonding.
  • 26
    • 0004204702 scopus 로고
    • 2nd ed, Oxford University Press: Oxford, U.K
    • Emsley, J. The Elements, 2nd ed.; Oxford University Press: Oxford, U.K., 1991.
    • (1991) The Elements
    • Emsley, J.1


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