메뉴 건너뛰기




Volumn 125, Issue 36, 2003, Pages 10790-10791

Mono-, di-, and trianionic β-diketiminato ligands: A computational study and the synthesis and structure of [(YbL)3(THF)], L = [{N(SiMe3)C(PH)}2CH]

Author keywords

[No Author keywords available]

Indexed keywords

CERIUM; LANTHANIDE; LIGAND; METAL DERIVATIVE; NEODYMIUM; PRASEODYMIUM; THULIUM; YTTERBIUM;

EID: 0042233978     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja036902s     Document Type: Article
Times cited : (76)

References (28)
  • 6
    • 0042908391 scopus 로고    scopus 로고
    • note
    • 3, R1 = 0.040, wR2 = 0.103, GOF = 1.043.
  • 18
    • 0042407580 scopus 로고    scopus 로고
    • note
    • The Stuttgart-Dresden-Bonn 10-e and 11-e large core RECP were used for Yb(II) and Yb(III).14a Basis sets adapted to the RECP were augmented by f polarization functions. Si was treated with RECP14b and the associated basis set augmented by d polarization function. Other atoms were represented by 6-3 IG(d,p)14c basis sets. Geometry optimization was carried out without any symmetry restrictions at the DFT-B3PW9115 level with Gaussian 98.16 The nature of minima was verified with analytical frequency calculations.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.