| Description |
1 online resource |
| Series |
Chemistry research and applications |
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Chemistry research and applications series.
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| Contents |
MACROCYCLIC CHEMISTRY: NEW RESEARCH DEVELOPMENTS; MACROCYCLIC CHEMISTRY: NEW RESEARCH DEVELOPMENTS; CONTENTS ; PREFACE ; TETRAAZACYCLOTETRADECANE SPECIES AS MODELS OF THE POLYAZACROWN MACROCYCLES: MOLECULAR STRUCTURE AND REORGANIZATIONS IN AQUEOUS MEDIA (PH 0-14) AS PROBED BY NMR SPECTROSCOPY AND COMPUTATIONAL METHODS -- PROBLEMS AND SOLUTIONS; ABSTRACT ; 1. INTRODUCTION -- AZACROWNS AS MULTIPURPOSE LIGANDS OR RECEPTORS (STRUCTURAL ASPECTS) ; 2. NMR SPECTROSCOPY OF TETRAAZACYCLOTETRADECANES AND STRUCTURALLY SIMILAR POLYAZA MACRORINGS |
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2.1. NMR Measurements for Polyamines in Aqueous Solutions (General Remarks) 2.2. Determining Protonation Mechanisms Through NMR pH-Titration Spectroscopy ; 2.2.1. Amino protonation-induced changes in eXs ; 2.2.2. Use of empirical 'shielding constants' ; 2.2.3. Use of empirical 'amine shift parameters' ; 2.2.4. Similarity of pH-titration profiles (1H and 13C NMR spectra) ; 2.2.5. 13C NMR line-broadening effects; 2.3. pH-Driven Internal Dynamics in Azacrowns as Probed by the 13C T1 Rates [83] |
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2.4. Polyamine 3 in the Strongly Acidic Medium: a Rejection of the Working Proposal of an Active Participation of the Nitrate Anion [85] 3. COMPUTATIONAL METHODS FOR AZACROWN MACROCYCLES AND RELATED POLYPROTONATED SPECIES ; 3.1. MMX vs. OPLS-AA Force Field (Creation of Initial Molecular Models) ; 3.2. Overall Conformations of the Macrocycles Forced by Their Dynamics ; 3.3. Empirically Corrected (Linearly Scaled) DFT GIAO-based Predictions of eXs for Aqueous Solutions; 3.4. Behind a 'Free-Molecule' Approach ; 4. POLYAZA AND OTHER MACROCYCLES -- SOME CURRENT ACHIEVEMENTS ; 5. CONCLUSION |
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ABSTRACT 1. INTRODUCTION ; 2. AN APPROXIMATE EVALUATION OF POSSIBLE INFLUENCE FACTORS ON THE INTERMOLECULAR INTERACTIONS BETWEEN CDS AND GUESTS; 3. A CAREFUL COMPARISON OF THE INCLUSION INTERACTIONS BETWEEN CDS AND A SERIES OF ANALOGUES ; 4. REPRESENTATIVE INCLUSION SYSTEMS IN LEVEL D ; 5. REPRESENTATIVE INCLUSION SYSTEMS IN LEVEL C ; 6. REPRESENTATIVE INCLUSION SYSTEMS IN LEVEL B ; 7. REPRESENTATIVE INCLUSION SYSTEMS IN LEVEL A; 8. THE DISCRIMINATION BEHAVIOR OF THE SAME GUEST TO A GROUP CDS ; 9. SEVERAL EXAMPLES OF CD INCLUSION COMPLEXES WITH STOICHIOMETRIES OTHER THAN 1:1 |
| Bibliography |
Includes bibliographical references and index |
| Notes |
English |
|
Print version record |
| Subject |
Macrocyclic compounds.
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SCIENCE -- Chemistry -- Organic.
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Macrocyclic compounds
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| Form |
Electronic book
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| Author |
Fitzpatrick, Dániel W., editor
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|
Ulrich, Henry J., editor
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| LC no. |
2020687361 |
| ISBN |
9781612092553 |
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1612092551 |
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