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Volumn 106, Issue 46, 2002, Pages 11215-11220

Counterion effects on the cation-π interaction between alkaline earth cations and benzene

Author keywords

[No Author keywords available]

Indexed keywords

BERYLLIUM; CHARGE TRANSFER; ELECTRONS; MAGNESIUM PRINTING PLATES; NEGATIVE IONS;

EID: 0037153307     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp020121g     Document Type: Article
Times cited : (28)

References (38)
  • 23
    • 0033577279 scopus 로고    scopus 로고
    • Counterion effect was even considered to be important for the prototypical π-alkali cation complexes. For example, see (a) Norrby, P.-O.; Liljefors, T. J. Am. Chem. Soc. 1999, 121, 2303.
    • (1999) J. Am. Chem. Soc. , vol.121 , pp. 2303
    • Norrby, P.-O.1    Liljefors, T.2
  • 32
    • 0034497677 scopus 로고    scopus 로고
    • It should be mentioned that recent calculations on alkali cation-benzene complexes showed that the difference between the interaction energy obtained by very large basis set and that obtained with a medium size basis set could be as large as 1-4 kcal/mol. Thus, interaction energies obtained using our finally chosen method, MP2/6-311++g(2d,2p)//MP2/6-31+g*, may also have an error of 1-4 kcal/mol. For more, see Feller, D.; Dixon, D.A.; Nicholas, J.B. J. Phys. Chem. A 2000, 104, 11414.
    • (2000) J. Phys. Chem. A , vol.104 , pp. 11414
    • Feller, D.1    Dixon, D.A.2    Nicholas, J.B.3
  • 34
    • 0011915982 scopus 로고    scopus 로고
    • note
    • 4.
  • 35
    • 0011915829 scopus 로고    scopus 로고
    • note
    • 4·dR. Because the M-centroid distance is roughly the same when M is the same, the counterion effects should correlate with R.
  • 36
    • 0011915398 scopus 로고    scopus 로고
    • note
    • We thank one of the reviewers for pointing out this important problem.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.