메뉴 건너뛰기




Volumn 126, Issue 28, 2004, Pages 8717-8724

Basicity of nucleophilic carbenes in aqueous and nonaqueous solvents - Theoretical predictions

Author keywords

[No Author keywords available]

Indexed keywords

ACETONITRILE; ALCOHOLS; ALKALINITY; COMPUTATIONAL METHODS; MATHEMATICAL MODELS; SOLUTIONS; SOLVENTS; WATER;

EID: 3242741731     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja038973x     Document Type: Article
Times cited : (417)

References (79)
  • 37
    • 3242733439 scopus 로고    scopus 로고
    • note
    • a of the reference standard.
  • 41
    • 3242731651 scopus 로고    scopus 로고
    • note
    • + (by far the largest systems studied) were performed on an SGI Origin 3400. In total, 59 days of continuous computing time across two processors were required, using a total of 600 MW of memory and 100 GB of scratch space.
  • 47
    • 0343081208 scopus 로고
    • -) are reported as 1.457, 1.457, 1.413, and 1.413 Å (Prick, P. A. J.; Beurskens, P. T. Cryst. Struct. Commun. 1979, 8, 293). In the case of the 2,6-dinitro-4-(trifluoromethyl)benzene-sulfonate salt, however, these same four bonds are reported to be 1.453, 1.457, 1.467, and 1.476 Å (Benetollo, F.; Polo, A.; Conte, L.; Guerrato, A. Acta Crystallogr., Sect. C; Cryst. Struct. Commun. 1987, 43, 928). In the context of Table S1, the first two bond lengths of each set are combined to give N-Me, while the last two pairs give N-Me′.
    • (1979) Cryst. Struct. Commun. , vol.8 , pp. 293
    • Prick, P.A.J.1    Beurskens, P.T.2
  • 48
    • 26744473945 scopus 로고
    • -) are reported as 1.457, 1.457, 1.413, and 1.413 Å (Prick, P. A. J.; Beurskens, P. T. Cryst. Struct. Commun. 1979, 8, 293). In the case of the 2,6-dinitro-4-(trifluoromethyl)benzene-sulfonate salt, however, these same four bonds are reported to be 1.453, 1.457, 1.467, and 1.476 Å (Benetollo, F.; Polo, A.; Conte, L.; Guerrato, A. Acta Crystallogr., Sect. C; Cryst. Struct. Commun. 1987, 43, 928). In the context of Table S1, the first two bond lengths of each set are combined to give N-Me, while the last two pairs give N-Me′.
    • (1987) Acta Crystallogr., Sect. C; Cryst. Struct. Commun. , vol.43 , pp. 928
    • Benetollo, F.1    Polo, A.2    Conte, L.3    Guerrato, A.4
  • 53
    • 0001753756 scopus 로고    scopus 로고
    • Imidazol-2-ylidenes have been found to be stable with respect to dry oxygen (Denk, M. K.; Rodezno, J. M.; Gupta, S.; Lough, A. J. J. Organomet. Chem. 2001, 617-618, 242-253). Used here, "air-stable" may be more accurately described as "moisture-stable".
    • (2001) J. Organomet. Chem. , vol.617-618 , pp. 242-253
    • Denk, M.K.1    Rodezno, J.M.2    Gupta, S.3    Lough, A.J.4
  • 58
    • 3242655877 scopus 로고    scopus 로고
    • Personal communication
    • Alder, R. W. Personal communication, 2003.
    • (2003)
    • Alder, R.W.1
  • 70
    • 3242681965 scopus 로고    scopus 로고
    • note
    • a's for each solvation scheme are available as Supporting Information (Table S2).


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.