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1.11 Attempts at a Quantitative Formulation of the Lewis Definition of Acids and Bases; 1.11.1 Hard and Soft Acids and Bases; 1.11.2 The ECW and ECT Models; 1.11.3 The Beta and Xi Equation; 1.11.4 A Chemometric Approach |
1.11.5 Quantum Chemical Descriptors for Basicity Scales1.12 Concluding Remarks and Content of Chapters 2-7; References; 2 The Donor Number or SbCl5 Affinity Scale; 2.1 Structure of SbCl5 Complexes; 2.2 Definition of the Donor Number Scale; 2.3 Experimental Determination of the Donor Number; 2.4 The Donor Number Scale: Data; 2.5 Critical Discussion; References; 3 The BF3 Affinity Scale; 3.1 Structure of BF3 Complexes; 3.2 Definition of the BF3 Affinity Scale; 3.3 Experimental Determination of the BF3 Affinity Scale; 3.4 The BF3 Affinity Scale: Data; 3.5 Discussion; 3.5.1 Medium Effects |
3.5.2 Hardness of BF33.5.3 Comparison of the BF3 and SbCl5 Affinity Scales; 3.5.4 Computation of the BF3 Affinity; 3.6 Conclusion; References; 4 Thermodynamic and Spectroscopic Scales of Hydrogen-Bond Basicity and Affinity; 4.1 Structure of Hydrogen-Bonded Complexes; 4.2 Hydrogen-Bond Basicity Scales: Early Works; 4.3 The 4-Fluorophenol Hydrogen-Bond Basicity Scale; 4.3.1 Definition; 4.3.2 Method of Determination; 4.3.3 Polyfunctional Hydrogen-Bond Acceptors; 4.3.4 Data; 4.3.5 Range of Validity of the Scale; 4.4 Hydrogen-Bond Affinity Scales: Early Studies |
4.5 The 4-Fluorophenol Affinity Scale4.6 Comparison of 4-Fluorophenol Affinity and Basicity Scales; 4.7 Spectroscopic Scales; 4.7.1 Infrared Shift of Methanol; 4.7.2 Solvatochromic Shifts of 4-Nitrophenol and 4-Nitroaniline; 4.8 Conclusion; References; 5 Thermodynamic and Spectroscopic Scales of Halogen-Bond Basicity and Affinity; 5.1 Structure of Halogen-Bonded Complexes; 5.2 The Diiodine Basicity Scale; 5.2.1 Definition of the Scale; 5.2.2 Methods for the Determination of Diiodine Complexation Constants; 5.2.3 Temperature Correction; 5.2.4 Solvent Effects; 5.2.5 Data |
5.3 Is the Diiodine Basicity Scale a General Halogen-Bond Basicity Scale? |