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Volumn 131, Issue 15, 2009, Pages 5698-5704

AI 4(P tBu 2) 6 a derivative of AI 4H 6 and other AI 4 species: A challenge for bonding interpretation between zintl ions and metalloid clusters

Author keywords

[No Author keywords available]

Indexed keywords

AROMATIC BONDING; CLUSTER COMPOUNDS; ENERGETIC MOLECULES; METALLOID CLUSTERS; PLESSET PERTURBATION THEORY; SECOND ORDERS; STRUCTURAL INVESTIGATION; TETRAHEDRAL STRUCTURES;

EID: 67849116113     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja9007563     Document Type: Article
Times cited : (28)

References (71)
  • 4
    • 67849108259 scopus 로고    scopus 로고
    • In the same way, our investigations on the preparation of Al/Ga clusters5 via high-temperature molecules like AlCl were initiated by our former matrix-isolation and spectroscopy experiments on the reactivity of species like AlCl and SiO.6-8
    • 6-8
  • 11
    • 4544282171 scopus 로고    scopus 로고
    • Meyer, G, Naumann, D, Wesemann, L, Eds; Wiley-VCH: Weinheim, Germany
    • Schnöckel, H.; Klemp, C. In Inorganic Chemistry Highlights; Meyer, G., Naumann, D., Wesemann, L., Eds; Wiley-VCH: Weinheim, Germany, 2002; p 245.
    • (2002) Inorganic Chemistry Highlights , pp. 245
    • Schnöckel, H.1    Klemp, C.2
  • 20
    • 67849115943 scopus 로고    scopus 로고
    • Ongoing experimental and theoretical investigations will be subject of a separate publication
    • Ongoing experimental and theoretical investigations will be subject of a separate publication.
  • 24
    • 84869564828 scopus 로고    scopus 로고
    • Private communication. Steiner, J. Dissertation, University of Karlsruhe, 2004
    • Steiner, J.; Schnöckel, H. Private communication. Steiner, J. Dissertation, University of Karlsruhe, 2004.
    • Steiner, J.1    Schnöckel, H.2
  • 33
    • 84869564824 scopus 로고    scopus 로고
    • Crystallographic data and refinement parameters for 2: empirical formula, C48H108Al4P6; fw, 979.08; T, 150(2) K; λ, 0.71073 Å; cryst syst, monoclinic; space group, P21/c; a, 21.1040(14) Å, b, 12.4808(8) Å, c, 23.3842(15) Å, β, 96.406(5)°; V, 6120.8(7) Å3; Z, 4; Dcalcd, 1.062 Mg/m 3; abs coeff, 0.261 mm-1; F(000, 2152; cryst size, 0.09 × 0.32 × 0.32 mm3; theta; range for data collection, 1.75 to 25.05°; index ranges, 25 ≤ h ≤ 25, 14 ≤ k ≤ 14,-27 ≤ l ≤ 27; reflns collected, 38587; independent reflns, 10760 (Rint, 0.0779, refinement method, full-matrix least-squares on F2; data/restraints/params, 10760/0/554; GOF on F2, 0.827; R1 [I > 2σI
    • -3. See: Sheldrick, G. M. Acta Crystallogr. 2008, A64, 112.
  • 34
    • 84869586939 scopus 로고    scopus 로고
    • The weak reflection intensity during the X-ray experiments on 2b did not allow a proper structure determination. Therefore, only the following results are presented: space group, P1; a, 11.881 Å, b, 11.922 Å, c, 21.188 Å, α, 83.18°, β, 84.28°, γ, 82.14°; V, 2941.1 Å3; Z, 2
    • 3; Z = 2.
  • 47
    • 84869586935 scopus 로고    scopus 로고
    • +), and consequently, their HOMOs have positive energies.
    • +), and consequently, their HOMOs have positive energies.
  • 48
    • 67849099078 scopus 로고    scopus 로고
    • The formation of the model cluster Al4H4(PH 2)2 2c can also be described in an alternative way, in terms of PR2- ligands that in reality should be present in the reaction mixture starting from LiPTBu2. In a gedankenexperiment, we start with an Al4H42+ cation, in which six electrons form the cluster bonding. The reaction with two PR2- anions, each containing two lone pairs, generates two very low lying orbitals in which Al, P, Al and Al4P2 moieties are the prominent entities and two orbitals that are nonbonding, as in the above-mentioned description of 2c. Thus, in this model we also have 10 electrons for the cluster bonding and four only weakly bonding electrons within the Al, P, Al bridges
    • 2 moieties are the prominent entities and two orbitals that are nonbonding, as in the above-mentioned description of 2c. Thus, in this model we also have 10 electrons for the cluster bonding and four only weakly bonding electrons within the Al - P - Al bridges.
  • 50
    • 84869586937 scopus 로고    scopus 로고
    • 51
    • 51
  • 52
    • 67849126616 scopus 로고    scopus 로고
    • This is also valid for the calculated and experimentally detected 27Al NMR shifts of Al4R4′ R, C 5Me4H, calcd 87.2 ppm; exptl 81.9 ppm
    • 4H) (calcd 87.2 ppm; exptl 81.9 ppm).
  • 61
    • 67849133157 scopus 로고    scopus 로고
    • With respect to the partially neutralized species containing alkaline cations e.g, Al4Li
    • -).
  • 68
    • 67849121263 scopus 로고    scopus 로고
    • Of the large number of publications in this field, see these two selections, which contain references to many other contributions: (a) Corbett, J. D. Angew. Chem., Int. Ed. 2000, 39, 692.
    • Of the large number of publications in this field, see these two selections, which contain references to many other contributions: (a) Corbett, J. D. Angew. Chem., Int. Ed. 2000, 39, 692.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.