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Volumn 131, Issue 25, 2009, Pages 9070-9075

The tetracyanopyrazinide dimer dianion, [TCNP]2 2-·2-electron 8-center bonding

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS-IN-MOLECULES ANALYSIS; C ATOMS; C-C BONDS; DIANION; ELECTROSTATIC INTERACTIONS;

EID: 67649592240     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja902790q     Document Type: Article
Times cited : (39)

References (48)
  • 8
    • 0003714767 scopus 로고    scopus 로고
    • E.g.: Skotheim, T. A.; Elsenbaumer, R. L.; Reynolds, J. R., Eds. M. Dekker: New York
    • E.g.: Skotheim, T. A.; Elsenbaumer, R. L.; Reynolds, J. R., Eds. Handbook of conducting polymers, 2nd ed.; M. Dekker: New York, 1998.
    • (1998) Handbook of Conducting Polymers, 2nd Ed.
  • 13
    • 67649589126 scopus 로고    scopus 로고
    • Angew. Chem. 2006, 117, 2570.
    • (2006) Angew. Chem. , vol.117 , pp. 2570
  • 37
    • 0000189651 scopus 로고
    • B3LYP is a density functional obtained by taking the three parameter nonlocal exchange functional of Becke and the non-local correlation functional of Lee-Yang-Parr
    • B3LYP is a density functional obtained by taking the three parameter nonlocal exchange functional of Becke and the non-local correlation functional of Lee-Yang-Parr:(a) Becke, A. D., J. Chem. Phys. 1993, 98, 5648.
    • (1993) J. Chem. Phys. , vol.98 , pp. 5648
    • Becke, A.D.1
  • 39
    • 36849115659 scopus 로고
    • A basis set built by adding diffuse functions to the 6-31G(d) basis set
    • A basis set built by adding diffuse functions to the 6-31G(d) basis set: Ditchfield, R.; Hehre, W. J.; Pople, J. A. J. Chem. Phys. 1971, 54, 724.
    • (1971) J. Chem. Phys. , vol.54 , pp. 724
    • Ditchfield, R.1    Hehre, W.J.2    Pople, J.A.3
  • 40
    • 15744375697 scopus 로고    scopus 로고
    • Gaussian, Inc.: Wallingford, CT, See Supporting Information for the full reference
    • Frisch, M. J.; et al.; Gaussian-03, Revision-C.02; Gaussian, Inc.: Wallingford, CT, 2004. See Supporting Information for the full reference.
    • (2004) Gaussian-03, Revision-C.02
    • Frisch, M.J.1
  • 44
    • 67649622871 scopus 로고    scopus 로고
    • 2- was present
    • 2- was present.
  • 46
    • 67649586819 scopus 로고    scopus 로고
    • Corrected for 2 ppm Fe impurity
    • (b) Corrected for 2 ppm Fe impurity.
  • 48
    • 84986513726 scopus 로고
    • All atoms-in-molecules calculations were performed using PROAIM
    • (b) All atoms-in-molecules calculations were performed using PROAIM: Biegler-Konig, F. W.; Bader, R. F. W.; Tang, T. H. J. Comput. Chem. 1982, 3, 317.
    • (1982) J. Comput. Chem. , vol.3 , pp. 317
    • Biegler-Konig, F.W.1    Bader, R.F.W.2    Tang, T.H.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.