Graphical Determination of Monomer Shift, Dimer Shift and Dimerization Constant for Self‐Association: 2‐Isopropyl Phenol in C 6 D 12  as an Example | Zendy

Chen JehnShing | Zendy; Shiau JiinChyuan | Zendy; Fang ChengYu | Zendy

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Graphical Determination of Monomer Shift, Dimer Shift and Dimerization Constant for Self‐Association: 2‐Isopropyl Phenol in C 6 D 12 as an Example

Author(s) -

Chen JehnShing,

Shiau JiinChyuan,

Fang ChengYu

Publication year - 1995

Publication title -

journal of the chinese chemical society

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.329

H-Index - 45

eISSN - 2192-6549

pISSN - 0009-4536

DOI - 10.1002/jccs.199500064

Subject(s) - chemistry , dimer , monomer , isopropyl , enthalpy , dilution , extrapolation , equilibrium constant , phenol , thermodynamics , computational chemistry , crystallography , organic chemistry , polymer , mathematical analysis , physics , mathematics

We propose a graphical method to treat dilution shift in NMR spectra to determine the monomer shift, dimer shift and dimerization constant simultaneously and consistently for the system of monomer/dimer equilibrium. The salient features include avoiding error‐prone manual extrapolation to zero concentration to obtain a monomer shift, and providing consistent assessment and error estimation for the determination. The dilution shifts of 2‐isopropyl phenol in C 6 D 12 serve to demonstrate this graphical method. The enthalpy and entropy of dimerization are determined via a van't Hoff plot from the temperature variation of the dimerization constant.

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