수소결합에 따른 적외선 분광기의 측정과 구조 및 열역학적 성질 사이의 관계식 성립에 관한 Lippincott/Schroeder 포텐샬 함수의 활용

박영훈

Journal of the Korean Industrial and Engineering Chemistry, Vol.4, No.2, 409-415, June, 1993

The Use of the Lippincott/schroeder Potential Function in Establishing Relationships between Infred Spectroscopic Measurements and Structural and Thermodynamic Properties of Hydrogen Bonds

박영훈

초록

Lippin cott/schroeder 포텐샬 함수는 OH…O와 같은 수소결합 시스템에 응용되고, 좋은 데이터를 주기 위하여 약간 수정된다. 이 모델의 사용은 Van der Waals 반발력과 정전기적 상호작용을 표현하는 항들을 요구하며, 이들 항들은 평형조건으로부터 결정된다. 이 간단한 모델을 사용하므로서, 주파수이동과 수소결합 형성의 엔탈피 관계는 직선이 될 것으로 예상되며, 이것은 문헌에 있는 실험적 결과와 일치한다는 것을 보여준다.

A potential function is applied to a hydrogen bonded system such as O-H-O and is slightly modified to provide a good understanding of a range of data. The use of this model requires a knowledge of terms describing the Van der Waals repulsion and the electrostatic interaction and the determination of these terms form the equilibrium conditions is described. Using this simple model, it will be shown that the relationship between the frequency shift and enthalpy of hydrogen bond formation is predicted to be linear and this is in reasonable agreement with experimental results in the literature.

[References]

Moore TS, Winmill TF, J. Chem. Soc., 101, 1635 (1912)
Painter PC, Park Y, Coleman MM, Macromolecules, 21, 66 (1988)
Painter PC, Park Y, Coleman MM, Macromolecules, 22, 570 (1989)
Painter PC, Park Y, Coleman MM, Macromolecules, 22, 580 (1989)
Painter PC, Graf J, Coleman MM, J. Chem. Phys., 92, 6166 (1990)
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Lippincott ER, Schroeder R, J. Chem. Phys., 23, 1099 (1955)
Lippincott ER, Schroeder R, J. Phys. Chem., 61, 921 (1957)
Lippincott ER, Finch JN, Schroeder R, Hydrogen Bonding, Hadzi and Thompson, Editors Pergammon Press, London, p. 361 (1959)
Lippincott ER, J. Chem. Phys., 21, 2070 (1953)
Reid CR, Chem. Phys., 30, 182 (1959)
Novak A, Struct. Bonding, 18, 177 (1974)
Schuster P, Zundel G, Sandorfy C, The Hydrogen Bond, Vols. I-III, North Holland, New York (1976)
Murthy ASN, Roa CNR, Appl. Spect. Rev., 2, 69 (1968)

[1] Moore TS, Winmill TF, J. Chem. Soc., 101, 1635 (1912)

[2] Painter PC, Park Y, Coleman MM, Macromolecules, 21, 66 (1988)

[3] Painter PC, Park Y, Coleman MM, Macromolecules, 22, 570 (1989)

[4] Painter PC, Park Y, Coleman MM, Macromolecules, 22, 580 (1989)

[5] Painter PC, Graf J, Coleman MM, J. Chem. Phys., 92, 6166 (1990)

[6] Graf J, Coleman MM, Painter PC, J. Phys. Chem., 95, 6710 (1991)

[7] Coleman MM, Graf J, Painter PC, Specific Interactions and the Miscibility of Polymer Blends; Technomic Poblishing, Inc.: Lancaster, PA (1991)

[8] Lippincott ER, Schroeder R, J. Chem. Phys., 23, 1099 (1955)

[9] Lippincott ER, Schroeder R, J. Phys. Chem., 61, 921 (1957)

[10] Lippincott ER, Finch JN, Schroeder R, Hydrogen Bonding, Hadzi and Thompson, Editors Pergammon Press, London, p. 361 (1959)

[11] Lippincott ER, J. Chem. Phys., 21, 2070 (1953)

[12] Reid CR, Chem. Phys., 30, 182 (1959)

[13] Novak A, Struct. Bonding, 18, 177 (1974)

[14] Schuster P, Zundel G, Sandorfy C, The Hydrogen Bond, Vols. I-III, North Holland, New York (1976)

[15] Murthy ASN, Roa CNR, Appl. Spect. Rev., 2, 69 (1968)