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Volumn 110, Issue 6, 2006, Pages 2283-2289

Electronic compressibility and polarizability: Origins of a correlation

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRONIC COMPRESSIBILITY; ORGANIC MOLECULES;

EID: 33644762257     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp055891h     Document Type: Article
Times cited : (20)

References (43)
  • 1
    • 0011627473 scopus 로고
    • Sen, K. D., Jørgensen, C. K., Eds.; Springer-Verlag: Berlin
    • Mullay, J. In Structural Bonding: Electronegativity Sen, K. D., Jørgensen, C. K., Eds.; Springer-Verlag: Berlin, 1987; Vol. 66, pp 1-25.
    • (1987) Structural Bonding: Electronegativity , vol.66 , pp. 1-25
    • Mullay, J.1
  • 4
    • 0034272153 scopus 로고    scopus 로고
    • (b) Connerade, J. P.; Semaoune, R. J. Phys. B.: At. Mol. Opt. Phys. 2000, 33, 3467 and references therein. In that context, the term carries an entirely different meaning, denoting the response of atoms to spatial confinement or external pressure. More recently, Chattaraj and Sarkar have examined theoretically the effects of confinement(compression) on atomic softness and polarizabilities of (mainly period 2) elements:
    • (2000) J. Phys. B.: At. Mol. Opt. Phys. , vol.33 , pp. 3467
    • Connerade, J.P.1    Semaoune, R.2
  • 12
    • 33644755224 scopus 로고    scopus 로고
    • note
    • Formally, the dipole polarizability is a tensor. However, the directional dependence is often neglected in chemical applications where the assumption of a spherical isotropic atomic site is usually satisfactory.
  • 16
    • 33644752467 scopus 로고    scopus 로고
    • Lide, D. R., Ed.; CRC Press: Boca Raton, FL, Section 10
    • CRC Handbook of Chemistry and Physics, 85th ed.; Lide, D. R., Ed.; CRC Press: Boca Raton, FL, 2004-2005; Section 10, pp 167-170.
    • (2004) CRC Handbook of Chemistry and Physics, 85th Ed. , pp. 167-170
  • 18
    • 33644784464 scopus 로고    scopus 로고
    • note
    • 3); the latter value is that given in the original source of the α′ values (see ref 15). Our recomputed correlation coefficient (0.983) for β′ vs α′ for the nine atoms is, nonetheless, still in good agreement with the value quoted in ref 2; i.e., R = 0.987.
  • 20
    • 0003413936 scopus 로고    scopus 로고
    • Wiley-VCH: Weinheim, Chapter 2
    • (a) Pearson, R. G. Chemical Hardness; Wiley-VCH: Weinheim, 1997; Chapter 2, pp 29-58.
    • (1997) Chemical Hardness , pp. 29-58
    • Pearson, R.G.1
  • 21
    • 0003817478 scopus 로고
    • Sen, K. D., Jørgensen, C. K., Eds.; Springer-Verlag: Berlin
    • (b) See, also, an analysis of the relationship between electronegativity, hardness and polarizability by Sen et al. a decade earlier: Sen, K. D.; Böhm, M. C.; Schmidt, P. C. In Structure and Bonding; Sen, K. D., Jørgensen, C. K., Eds.; Springer-Verlag: Berlin, 1987; Vol. 66, pp 99-123.
    • (1987) Structure and Bonding , vol.66 , pp. 99-123
    • Sen, K.D.1    Böhm, M.C.2    Schmidt, P.C.3
  • 33
    • 33644769903 scopus 로고    scopus 로고
    • note
    • mol identified in ref 2.
  • 34
    • 0002318719 scopus 로고
    • As early as 1917, Silberstein pointed out that for additivity it is necessary to take the molecular environment into consideration in assigning atomic polarizabilities: Silberstein, L. Philos. Mag. 1917, 33, 92.
    • (1917) Philos. Mag. , vol.33 , pp. 92
    • Silberstein, L.1
  • 38
    • 0000211281 scopus 로고    scopus 로고
    • Martin, B.; Gedeck, P.; Clark, T. Int. J. Quantum Chem. 2000, 77, 473. A method has been presented by Martin et al. for computing additive polarizabilities by the neglect of differential diatomic overlap (NDDO) approximation.
    • (2000) Int. J. Quantum Chem. , vol.77 , pp. 473
    • Martin, B.1    Gedeck, P.2    Clark, T.3
  • 39
    • 33644765550 scopus 로고    scopus 로고
    • note
    • A validation of (14) has not been accomplished in the present work. However, evidence for the additivity of atomic polarizability has been provided in a number of papers. Empirical methods (refs 27 and 28 and references therein) have been successful in demonstrating the additivity of valence state atomic polarizabilities for hundreds of compounds. More recently, Martin et al. (ref 29) have proposed and tested extensively a scheme for computing the appropriate (i.e., additive valence state) atomic polarizabilities.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.