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Volumn 125, Issue 38, 2003, Pages 11761-11771

Trends in exchange coupling for trimethylenemethane-type bis(semiquinone) biradicals and correlation of magnetic exchange with mixed valency for cross-conjugated systems

Author keywords

[No Author keywords available]

Indexed keywords

ANTIFERROMAGNETISM; COMPLEXATION; CONFORMATIONS; CRYSTAL STRUCTURE;

EID: 0141757413     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja0367849     Document Type: Article
Times cited : (84)

References (79)
  • 4
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    • Wentrup, C. Science 2002, 295, 1846-1847.
    • (2002) Science , vol.295 , pp. 1846-1847
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  • 9
  • 17
    • 0042895892 scopus 로고
    • For work on substituent and conformation effects on biradicals using computational chemistry and EPR spectroscopy, see the following and ref 18: Silverman, S. K.; Dougherty. D. A. J. Phys. Chem. 1993, 97. 13273-13283.
    • (1993) J. Phys. Chem. , vol.97 , pp. 13273-13283
    • Silverman, S.K.1    Dougherty, D.A.2
  • 19
    • 0141715379 scopus 로고    scopus 로고
    • Structural determinants of the chemical and magnetic properties of non-kekule molecules
    • Lahti, P. M., Ed.; Marcel Dekker: New York
    • For electronic modulation of J for singlet ground-state biradicals, see: Berson. J. A. Structural Determinants of the Chemical and Magnetic Properties of Non-Kekule Molecules. In Magnetic Properties of Organic Materials; Lahti, P. M., Ed.; Marcel Dekker: New York, 1999; pp 7-26.
    • (1999) Magnetic Properties of Organic Materials , pp. 7-26
    • Berson, J.A.1
  • 21
    • 0001640061 scopus 로고    scopus 로고
    • Conformational exchange modulation in trimethylenemethane (TMM)-type biradicals
    • Lahti, P., Ed.; Marcel Dekker: New York
    • Shultz, D. A. Conformational Exchange Modulation in Trimethylenemethane (TMM)-Type Biradicals. In Magnetic Properties of Organic Materials; Lahti, P., Ed.; Marcel Dekker: New York, 1999.
    • (1999) Magnetic Properties of Organic Materials
    • Shultz, D.A.1
  • 32
    • 0347828859 scopus 로고
    • Some of the g = 2 signal is a double-quantum transition as shown by power dependence studies, see: deGroot, M. S.; van der Waals, J. H. Physica 1963, 29, 1128-1132.
    • (1963) Physica , vol.29 , pp. 1128-1132
    • DeGroot, M.S.1    Van der Waals, J.H.2
  • 35
    • 0003409956 scopus 로고
    • Patai, S., R., Z., Ed.; John Wiley, Sons New York
    • Berson, J. A. The Chemistry of the Quinonoid Compounds; Patai, S. R., Z., Ed.; John Wiley & Sons: New York, 1988; Vol. II, p 482.
    • (1988) The Chemistry of the Quinonoid Compounds , vol.2 , pp. 482
    • Berson, J.A.1
  • 48
    • 0141826729 scopus 로고    scopus 로고
    • note
    • We were unsuccessful at calculating the zfs parameters for our biradicals using the methods described in ref 47. possibly due to the fact several of the biradicals are between the extremes of disjoint and nondisjoint.
  • 52
    • 0013249509 scopus 로고
    • Chapter 7. Properties of condensed compounds (compounds with spin exchange)
    • Boudreaux, E., A., Mulay, L., N., Eds.; Wiley-Inter science: New York
    • Hatfield, W. E. Chapter 7. Properties of Condensed Compounds (Compounds with Spin Exchange). In Theory and Applications of Molecular Paramagnetism; Boudreaux, E. A., Mulay, L. N., Eds.; Wiley-Interscience: New York, 1976; pp 381-385.
    • (1976) Theory and Applications of Molecular Paramagnetism , pp. 381-385
    • Hatfield, W.E.1
  • 60
    • 0141715373 scopus 로고    scopus 로고
    • note
    • 2v symmetry is precluded by steric interactions between the SQ groups.
  • 61
    • 0141715374 scopus 로고    scopus 로고
    • note
    • There are other mechanisms by which these states can mix (e.g., hyperfine interactions), but these interactions are expected to be even weaker than vibronic mixing.
  • 62
    • 33845557400 scopus 로고
    • This is similar to the case of cyclobutadiene, which distorts via a second-order Jahn-Teller distortion. The notable difference is that the latter is computed to be a singlet at all geometries when Cl is included, see: Borden, W. T.; Davidson, E. R. Acc. Chem. Res. 1981, 14, 69-76.
    • (1981) Acc. Chem. Res. , vol.14 , pp. 69-76
    • Borden, W.T.1    Davidson, E.R.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.