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Volumn 101, Issue 6, 1997, Pages 1035-1050

A thermodynamic analysis of the π * and ET(30) polarity scales

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; CALCULATIONS; CHARGE TRANSFER; COMPOSITION EFFECTS; DIELECTRIC PROPERTIES; DYES; HYDROGEN BONDS; MOLECULAR DYNAMICS; POLARIZATION; THERMOANALYSIS;

EID: 0031555732     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp961609i     Document Type: Article
Times cited : (105)

References (168)
  • 1
    • 0004249665 scopus 로고
    • Wiley, Chichester, U.K.
    • (a) Marcus, Y. Ion Salvation; Wiley, Chichester, U.K. 1985.
    • (1985) Ion Salvation
    • Marcus, Y.1
  • 19
    • 85088620499 scopus 로고    scopus 로고
    • note
    • 6 as such a molecular probe.
  • 20
    • 5844334339 scopus 로고    scopus 로고
    • note
    • If a molecule possesses an anisotropic polarizability, orientational fluctuations would also contribute to dispersion and induction forces effects, but density fluctuations are expected to be more important.
  • 93
    • 0001261743 scopus 로고
    • (a) Zeng, J.; Craw, J. S.; Hush, N. S.; Reimers, J. R. J. Chem. Phys. 1993, 99, 1482; Ibid. 1993, 99, 1496.
    • (1993) J. Chem. Phys. , vol.99 , pp. 1496
  • 95
    • 0001179724 scopus 로고
    • (b) Zeng, J.; Craw, J. S.; Hush, N. S.; Reimers, J. R. J. Chem. Phys. 1994, 98, 11075; 1995, 99, 10459.
    • (1995) J. Chem. Phys. , vol.99 , pp. 10459
  • 122
    • 5844276985 scopus 로고    scopus 로고
    • note
    • Notice that the ground-excited state transition dipole, usually separated in the Longuett-Higgins/Pople theory, belongs actually to the solute polarizability.
  • 130
    • 5844238016 scopus 로고
    • Robinson, J. W., Ed.; CRC Press: Cleveland, OH
    • (a) Handbook of Spectroscopy; Robinson, J. W., Ed.; CRC Press: Cleveland, OH, 1974; Vol. 1.
    • (1974) , vol.1
    • Spectroscopy, H.O.1
  • 137
    • 0042167910 scopus 로고
    • Richert, R.; Wagener, A. J. Phys. Chem. 1993, 97, 3146. The treatment contains several approximations: (i) disregard of dispersion forces, (ii) solute polarizability is put to zero, and (iii) the variation in the solvation energy due to the high-frequency modes (the second term in eq 11) has been omitted in the absorption frequency shift.
    • (1993) J. Phys. Chem. , vol.97 , pp. 3146
    • Richert, R.1    Wagener, A.2
  • 140
    • 5844274375 scopus 로고
    • Equilibrium Techniques
    • Berne, B. J., Ed.; Plenum Press: New York
    • (b) Stell, G. Equilibrium Techniques. In Modern Theoretical Chemistry, Berne, B. J., Ed.; Plenum Press: New York, 1977; Vol. 4, Part A.
    • (1977) Modern Theoretical Chemistry , vol.4 , Issue.PART A
    • Stell, G.1
  • 150
    • 5844294369 scopus 로고    scopus 로고
    • note
    • The orientational part of the dipole solvation energy is obtained by switching off the solute-solvent and solvent-solvent center-of-mass correlations in the solvent linear response function. The orientational part of solvation is formed by the one-particle dipolar response and the chain solvent-solvent dipole-dipole correlations. The packing component of the solvation energy is the difference between the total solvation energy and the orientational part.
  • 157
    • 33645934660 scopus 로고
    • Some of the H-bonding effect can be included as higher permanent moments. The quadrupole moment is actually very important for the dielectric properties of water and hydration of small ions; see: Carnie, S. L.; Patey, G. N. Mol. Phys. 1982, 47, 1129 and ref 16b.
    • (1982) Mol. Phys. , vol.47 , pp. 1129
    • Carnie, S.L.1    Patey, G.N.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.