메뉴 건너뛰기




Volumn 118, Issue 2, 1996, Pages 330-338

Preparation and characterization of the disjoint diradical 4,4′-bis(1,2,3,5-dithiadiazolyl) [S2N2C-CN2S2] and its iodine charge transfer salt [S2N2C-CN2S2][I]

Author keywords

[No Author keywords available]

Indexed keywords


EID: 0000335501     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja952144x     Document Type: Article
Times cited : (73)

References (83)
  • 34
    • 3643050711 scopus 로고
    • One claim has been made for the preparation of oxamidine as its phosphate salt [Ito, M. Chem. Abstr. 1973, 78, 57800a], but in our hands, the reaction of cyanogen with ammonia and phosphoric acid was unsuccessful.
    • (1973) Chem. Abstr. , vol.78
    • Ito, M.1
  • 36
    • 3643082103 scopus 로고
    • Diethyl oximidate has been prepared using a modified literature procedure (see the Experimental Section): Behun, J. D. Chem. Abstr. 1961, 60, 5342c.d.
    • (1961) Chem. Abstr. , vol.60
    • Behun, J.D.1
  • 37
    • 37049084765 scopus 로고
    • The oxidative cleavage of N-N bonds by sulfur dichloride as a route to SN-containing heterocycles has been used elsewhere. (a) Bestari, K. T.; Cordes, A. W.; Oakley, R. T. J. Chem. Soc., Chem. Commun. 1988, 1328. (b) Roesky, H. W.; Müller, T. Chem. Ber. 1978, 111, 2960.
    • (1988) J. Chem. Soc., Chem. Commun. , pp. 1328
    • Bestari, K.T.1    Cordes, A.W.2    Oakley, R.T.3
  • 38
    • 3643075865 scopus 로고
    • The oxidative cleavage of N-N bonds by sulfur dichloride as a route to SN-containing heterocycles has been used elsewhere. (a) Bestari, K. T.; Cordes, A. W.; Oakley, R. T. J. Chem. Soc., Chem. Commun. 1988, 1328. (b) Roesky, H. W.; Müller, T. Chem. Ber. 1978, 111, 2960.
    • (1978) Chem. Ber. , vol.111 , pp. 2960
    • Roesky, H.W.1    Müller, T.2
  • 40
  • 41
    • 3643145606 scopus 로고    scopus 로고
    • Ccmm is a nonstandard setting of Cmcm; in Cmcm the a and b cell dimensions would interchange
    • Ccmm is a nonstandard setting of Cmcm; in Cmcm the a and b cell dimensions would interchange.
  • 43
    • 0011113794 scopus 로고
    • Miller, J. S., Ed.; Plenum Press: New York
    • For more general discussions of charge transfer in iodine containing low-dimensional conductors, see: (a) Coppens, P. In Extended Linear Chain Compounds; Miller, J. S., Ed.; Plenum Press: New York, 1982; pp 333-356. (b) Marks, T. J.; Kalina, D. W. In Extended Linear Chain Compounds; Miller, J. S., Ed.; Plenum Press: New York, 1982; pps 197-331. (c) Kertész, M.; Vonderviszt, F. J. Am. Chem. Soc. 1982, 104, 5889.
    • (1982) Extended Linear Chain Compounds , pp. 333-356
    • Coppens, P.1
  • 44
    • 0000759659 scopus 로고
    • Miller, J. S., Ed.; Plenum Press: New York
    • For more general discussions of charge transfer in iodine containing low-dimensional conductors, see: (a) Coppens, P. In Extended Linear Chain Compounds; Miller, J. S., Ed.; Plenum Press: New York, 1982; pp 333-356. (b) Marks, T. J.; Kalina, D. W. In Extended Linear Chain Compounds; Miller, J. S., Ed.; Plenum Press: New York, 1982; pps 197-331. (c) Kertész, M.; Vonderviszt, F. J. Am. Chem. Soc. 1982, 104, 5889.
    • (1982) Extended Linear Chain Compounds , pp. 197-331
    • Marks, T.J.1    Kalina, D.W.2
  • 45
    • 33746503179 scopus 로고
    • For more general discussions of charge transfer in iodine containing low-dimensional conductors, see: (a) Coppens, P. In Extended Linear Chain Compounds; Miller, J. S., Ed.; Plenum Press: New York, 1982; pp 333-356. (b) Marks, T. J.; Kalina, D. W. In Extended Linear Chain Compounds; Miller, J. S., Ed.; Plenum Press: New York, 1982; pps 197-331. (c) Kertész, M.; Vonderviszt, F. J. Am. Chem. Soc. 1982, 104, 5889.
    • (1982) J. Am. Chem. Soc. , vol.104 , pp. 5889
    • Kertész, M.1    Vonderviszt, F.2
  • 46
    • 3643096655 scopus 로고    scopus 로고
    • note
    • - species) because we cannot identify them as I- - -I or S- - -S (or even S- - -I) modes.
  • 54
    • 3643053794 scopus 로고
    • Borden, W. T., Ed.; J. Wiley and Sons: New York
    • Borden, W. T. In Diradicals; Borden, W. T., Ed.; J. Wiley and Sons: New York, 1982; p 24.
    • (1982) , pp. 24
    • Diradicals1
  • 58
    • 3643094596 scopus 로고    scopus 로고
    • note
    • Using SCF methods we have also examined briefly one (the out-of-phase) combination of the two higher-lying zwitterionic singlet states and established that it lies much higher in energy than the diradicals. The in-phase zwitterionic singlet was not examined in any detail. A smaller basis set configuration interaction calculation placed it an energy similar to that of the out-of-phase zwitterionic singlet, as expected.
  • 71
    • 3643071601 scopus 로고    scopus 로고
    • note
    • Strictly speaking, such an approach requires that the unit cell vectors be orthogonal. For structures in which this does not hold, the argument is only of qualitative value.
  • 72
    • 85088620940 scopus 로고    scopus 로고
    • note
    • 9 are, in reality, more high lying than the EHMO method suggests.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.