Studies on the Nuclear Magnetic Resonance Spectra in Aromatic Systems. VII. Preliminary Discussions on the Coupling Constants in Substituted Aromatics
スポンサーリンク
概要
- 論文の詳細を見る
The coupling constants in substituted benzenes have been discussed with respect to substituent constants σ_i and σ_π, and △J-excess J value-has been devided into 2 contributions from σ- and π-electronic effects. The J values of vicinal ^1H and those of meta to one another are shown to be estimated from Eq. (1) and Eq. (2), respectively. J≒ (J^i+J^π) ref. + Σ△J^i (1) J≒ (J^i+J^π) ref. + Σ (△J^i+△J^π) (2) Above simple additive relations are not reliable in tetra-substituted benzenes, probably due to the mutal substituent interactions.
- 公益社団法人日本薬学会の論文
- 1968-11-25
著者
-
鈴木 美代子
Faculty Of Pharmaceutical Sciences Osaka University
-
佐々木 喜男
Faculty Of Pharmaceutical Sciences Osaka University
-
尾崎 茂子
Faculty Of Pharmaceutical Sciences Osaka University
関連論文
- Inclusion Compounds of Cyclodextrin and Azo Dyes. IV (b). Nuclear Magnetic Resonance and Circular Dichroism Spectra of γ-Cyclodextrin and Orange II in the Solution State
- Inclusion Compounds of Cyclodextrin and Azo Dyes. Formation of a Liquid Crystal
- Inclusion Compounds of Cyclodextrin and Azo Dyes. III. ^C Nuclear Magnetic Resonance Spectra of Cyclodextrin and Azo Dyes with a Naphthalene Nucleus
- Inclusion Compounds of Cyclodextrin and Azo Dyes. II. ^1H Nuclear Magnetic Resonance and Circular Dicroism Spectra of Cyclodextrin and Azo Dyes with a Naphthalene Nucleus
- Inclusion Compound of Cyclodextrin and Azo Dye. I. Methyl Orange
- 核磁気緩和その1ο-HydroxybiphenylのChemical Shiftと緩和
- Studies on the Magnetic Resonance Spectra in Aliphatic Systems. III. M-CNDO/2 Calculation and NMR Parameters of CH_3R
- Carbon-13 Chemical Shifts of Aliphatic Systems. II. On the CNDO/2 Calculation and C-13 Chemical Shift of Substituted Methane Series
- On the Retention Index
- Thermal Hydrogen-Deuterium Exchange Reaction between Aromatic Ring Deuterium and Active Hydrogen of Substituent Group
- Carbon-13 Nuclear Magnetic Resonance Spectroscopy. VI. Studies on Carbon-13 Magnetic Resonance Spectra in Aromatic and Heteroaromatic Systems. (2). On the Chemical Shifts of Substituted Pyridine Derivatives
- Carbon-13 Nuclear Magnetic Resonance Spectroscopy. V. Studies on Carbon-13 Magnetic Resonance Spectra in Aromatic and Heteroaromatic Systems. (1). Mono- and Disubstituted Benzene Derivatives
- Electronic Indices of Cations of Monosubstituted Benzene Derivatives by omega- Technique
- Studies on the Proton Magnetic Resonance Spectra in Aromatic Systems. XVII. On the Electronic Indices of 3-and 4-Substituted Pyridine, 6-Substituted Quinoline and 6-Substituted Quinoxaline Derivatives
- Studies on the Proton Magnetic Resonance Spectra in Aromatic Systems. XVI. On the Electronic Indices of Substituted Benzene and Naphthalene Derivatives
- C-13 Resonance Chemical Shift for Substituted Ethyl and Isopropyl Derivatives
- Studies on the Proton Magnetic Resonance Spectra in Aliphatic Systems. IV. Interpretation of Substituent Effect on the Chemical Shift and Coupling Constant for Substituted Ethylene Derivatives
- Studies on the Proton Magnetic Resonance Spectra in Aliphatic Systems. III. On the JC-H of Alkyl Derivatives
- On the Cleavage Reaction Mechanism of Diphenyl Oxides and Related Compounds by Metallic Sodium in Liquid Ammonia. I.
- Studies on the Proton Magnetic Resonance Spectra in Aliphatic Systems. II. On the Inductive and Electric Field Effect of Alkyl Derivatives
- Studies on ^C Magnetic Resonance Spectroscopy. XIV. Interpretation of the ^C NMR Chemical Shifts of 2-Substituted Naphthalenes and Their 6-Methoxy Derivatives
- Studies on ^C Magnetic Resonance Spectroscopy. X. ^C Nuclear Magnetic Resonance Chemical Shifts of 2-Substituted Naphthalenes and Their 6-Methoxy Derivatives
- Studies on Heterocycles Carbon-13 Magnetic Resonance Spectroscopy. XI. Nitrogen Heterocycles. (1). 6-Substituted Quinoline and Quinoxaline Derivatives
- Revised Interpretations of Electronic Substituent Constants Using Electron Number Analysis and Molecular Electrostatic Potential
- Enhancing Effect of Pyrrolidone Derivatives on Transfermal Penetration of Phenolsulfonphthalein and Indomethacin from Aqueous Vehicle
- Development of an Applications for a Simulater of Intermolecular Potentials. III. Development of SIMP/II and SIMP/D and Their Application
- Thermochemical Aspects of Partition of Methyl- and Halogen-Substituted Alcohols in 1-Octanol/Water and a Novel Regression Analysis of Alcohol Toxicities
- Nuclear Magnetic Resonance Relaxation Study of Strychnine in Solution. Molecular Dynamics Models for the Interpretation of ^C T_1 Data and Relaxation Mechanisms of the Quaternary Carbons
- Factor Analysis of the Solute-Stationary Phase Interactions in Gas-Liquid Chromatography Using the Oblique Procrastes Transformation
- 分子間相互作用とカロリメトリ-
- 液晶NMR法によるフェノキサチインの化学構造と分子配向の研究 (化学における構造決定) -- (NMR・ESR)
- THE GASEOUS STANDARD ENTROPY S°_ (g) OF THE 3RD LAW OF THERMODYNAMICS CAN BE ESTIMATED FROM GAS-CHROMATOGRAPHIC RETENTION DATA
- NMRによるLewis塩基とTris(dipivaloylmethanato)europium間の会合定数と錯体シフトの簡易決定法について
- Nuclear Magnetic Resonance Studies of Acid-Base Association in Solution. II. Association between Ketones and Tris (dipivaloylmethanato) europium
- Nuclear Magnetic Resonance Studies of Acid-Base Association in Solution. I. Thermodynamic Parameters of the Association between Lewis Bases and Tris(dipivalomethanato)europium
- Studies on the Proton Magnetic Resonance Spectra of Aliphatic Systems. IX. Complex Shift and Equilibrium Constant of Association between Excess Amount of Aliphatic Alcohol and Tris (dipivalomethanato) europium
- Stereochemistry of Quinolizidines. V. Protonation of Benzo [α] quinolizidines and Determination of Their Nitrogen Inversion Rates
- Studies on the Proton Magnetic Resonance Spectra of Aliphatic Systems. VIII. Complex Shift and Equilibrium Constant of Aliphatic Alcohol-Tris (dipivalomethanato) europium Complex in Solution
- Studies on the Proton Magnetic Resonance Spectra of Aromatic Systems. XXI. Discussions on Stoichiometry, Equilibrium and Infinite Concentration Shift of Pyridine Base-Tris (dipivalometh-anato) europium Eu (DPM)_3 Complex in Solution
- Studies on the Proton Magnetic Resonance Spectra in Aromatic Systems. XII. Heterocyclic Series. (4). 4-Substituted Pyridines
- 芳香環系^1H 核磁気共鳴スペクトルの研究(第10報) : 含窒素異項環化合物の化学シフトとπ電子密度 その2 : 6-置換Quinoline誘導体
- 芳香環系^1H 核磁気共鳴スペクトルの研究(第8報) : 含窒素異項環化学シフトとπ電子密度 その1 : 3-置換Pyridine誘導体
- 芳香環系^1H核磁気共鳴スペクトルの研究(第13報) : 含窒素異項環化合物 その5 : 6-置換Quinoxaline誘導体
- Studies on the Nuclear Magnetic Resonance Spectra in Aromatic Systems. V. Discussions on the 2-Substituted and 2-Substituted 6-Methoxynaphthalene Series
- Studies on the Alkaloids of Menispermaceous Plants. CCLIX. Alkaloids of Menispermum dauricum DC. (Suppl. 7). Structures of Acutumine and Acutumidine, Chlorine-Containing Alkaloids with a Novel Skeleton
- Studies on ^C Magnetic Resonance Spectroscopy. XVI. On the Introduction of the Entropy Term ΔS° for the Elucidation of Ipso- and α-^C Substituent-Induced Chemical Shifts by an Empirical Approach
- Stereochemistry of Quinolizidines. VI. Conformation of Benzo-[α] quinolizidines and Their ^C Chemical Shifts. (2)
- Stereochemistry of Quinolizidines. IV. Conformation of Benzo [a]-quinolizidines and Their ^C Chemical Shifts
- Stereochemistry of Quinolizidines. III. Carbon-13 Magnetic Resonance Spectra of Benzo [α] quinolizidines
- Studies on the Proton Magnetic Resonance Spectra in Aromatic Systems. XIX. Hydrogen-Deuterium Exchange Reaction Mechanism of Deutero-aniline
- Tazettine Chemistry. X. The Structure of Products obtained from O-Methyltazettine Methine Methosalts under the Hofmann Elimination Conditions.
- Rational Estimation of the QSAR (Quantitative Structure-Activity Relationships) Descriptors σ _, and Their Applecations for Medicinals Now Available
- On the Estimation of the Quantitative Structure-Activity Relationships Descriptor σ_ for Aliphatic Compound
- Revised Substituent Entropy Constants σ_ for Di- and Tri-Substituted Benzene Derivatives, and Their Applications for Substrates Having Two Substituted Phenyl Rings
- Procedures on the Estimation of the Novel Quantitative Structure-Activity Relationship (QSAR) Descriptor σ_ for Poly-Substituted Benzene Series, and Their Polarizabilities
- Estimation of the Quantitative Structure-Activity Relationship Descriptor σ_ for Di- and Tri-Substituted Benzene Derivatives
- Solute-Stationary Phase Interaction in Gas-Liquid Chromatography. : Evaluation of the Relative Retention Value for Substituted Halogenobenzene Derivatives
- On the Solute-Stationary Phase Interaction in Gas-Liquid Chromatorgaphy. Evaluation on the Relative Retention Values for Mono- and Polyalkyo-Substituted Benzene Derivatives
- Determination of the Novel Quantitative Structure-Activity Relationships Descriptor σ_ for Di- and Trisubstituted Benzene Derivatives
- Feasibility of Estimating the Novel Quantitative Structure-Activity Relationship (QSAR) Descriptor σ_ by Means of Gas-Liquid Chromatography. I. : Halogenobenzene Derivatives
- Comparison of Novel Descriptors σ_ and μ^2/α with Topological Indices in Quantitative Structure-Activity Relationships Analyses
- Substitutent Entropy constant σ_ and Descriptor μ^2/α of sym-Disubstituted Benzene Derivatives. : Estimation and Validity of Novel Quantitative Structure-Activity Relationships Descriptors
- Availability of Substituent Entropy Constants σ_ and Descriptor μ^2/α as Predictors of Relative Retention Values on Gas-Liquid Chromatography of Substituted Propane and Butane Derivatives
- On the Novel Quantitative Structure-Activity Relationships (QSAR)Descriptors σ_ and μ^2/α Deduced from the Modified Lennard-Jones 12,6 Potentials
- 水素化リチウムアルミニウムによるVinylogous Esterの還元(第2報)
- 水素化リチウムアルミニウムによるVinylogous Esterの還元(第1報)
- Studies on ^C Magnetic Resonance Spectroscopy. XV. Correlation between ^C NMR Chemical Shifts and Charge Densities of Diaza-Benzenes
- Studies on ^C Magnetic Resonance Spectroscopy. XII. ^C and ^1H NMR of 5-Substituted Pyrimidine Derivatives
- C-6およびC-2-置換-Δ^4-3-ketosteroidsのUVスペクトルについて
- NOVEL SUBSTITUENT ENTROPY CONSTANT σ_ REPRESENTS THE MOLECULAR CONNECTIVITY _X AND IT RELATED INDICES
- Studies on Quantitative Structure-Activity Relationships. IV. Usefulness of the Novel Substituent Entropy Constant σ_ and the Sign of the Enthalpy Parameter
- CHARACTERIZATION OF NOVEL SUBSTITUENT ENTROPY CONSTANT BY CLUSTER ANALYSIS
- THE SUBSTITUENT ENTROPY CONSTANT σ_s° USED IN THE QSAR INVESTIGATION OF DIHYDROFOLATE REDUCTASE INHIBITION BY BAKER TRIAZINES
- Utility of the Substituent Entropy Constants σ_s^o in the Studies of Quantitative Structure-Activity Relationships
- Studies on ^C Magnetic Resonance Spectroscopy. XIII. ^C and ^1H NMR of 4-Substituted Pyridazine and 2-Substituted Pyrazine Derivatives
- Studies on the Proton Magnetic Resonance Spectra in Aliphatic Systems. VII. Stoichiometry of Lewis Base and Tris (Dipivalomethanato)-europium Complex in Solution
- Studies on the Proton Magnetic Resonance Spectra in Aromatic Systems. XVIII. Tris (dipivalomethanato) europium Induced Shift of para- and meta-Substituted Deuteroanilines
- Studies on the Proton Magnetic Resonance Spectra in Aliphatic Systems. V. Tris (dipivalomethanato) europium Induced Shift Parameters of Aliphatic Amines and Alcohols
- Shift Parameter Induced by Tris (dipivalomethanato) Europium and Steric Strain Energies of Aliphatic Amines
- Studies on ^C Magnetic Resonance Spectroscopy. XVIII. Elucidation of the ^C Substituent-Induced Chemical Shifts of Monosubstituted Benzenes by Means of a Novel Substituent Entropy Constant σ_
- Studies on ^C Magnetic Resonance Spectroscopy. XVII. Elucidation of Substituent-Induced Chemical Shifts of Substituted n-Alkane Series by Means of a Novel Substituent Entropy Constant σ_.
- New Approach for the Elucidation of the Ipso- and α-^C Substituent induced Chemical Shifts by the Linear Combination of the Empirical Parameters
- Studies on Carbon-13 Magnetic Resonance Spectroscopy. IX. Carbon-13 Pulse Fourier Transform Nuclear Magnetic Resonance Chemical Shifts of 1-Substituted-3,4-dimethoxy-and -3,4-methylenedioxybenzene Derivatives
- Stereochemistry of Quinolizidines. II. Carbon-13 Magnetic Resonance Spectra of N-Methylquinolizidinium Ions
- Sinomenine同族体のHofmann分解反応生成物の再検討
- Studies on the Proton Magnetic Resonance Spectra in Aromatic Systems, I. Discussions on the Para-disubstituted-, 1-Substituted-3,4-Dimethoxy- and 1-Substituted-3,4-Methylenedioxy Benzene Derivatives
- Studies on Carbon-13 Magnetic Resonance Spectroscopy. VIII. Stereochemistry of Quinolizidines (1)
- Studies on Metal Complex Formation in Solution. I. Cryptotanshinone-FeCl_3 Complex
- Studies on the Proton Magnetic Resonance Spectra in Aromatic Systems. II. Discussions on the Polysubstituted Benzene Derivatives.
- Studies on the Proton Magnetic Resonance Spectra in Aromatic Systems. XV. Discussions on the π-Electron Charge Density Distributions of 3-and 4-Pyridine, 6-Quinoline and 6-Quinoxaline Series
- Studies on the Proton Magnetic Resonance Spectra in Aromatic Systems. XIV. On the meta ^1H and ^C Chemical Shift of Monosubstituted Benzene and Pyridine Series
- Studies on the Biological Activity. II. Discussions on the Biological Activity of para- and meta-Substituted Benzene Derivatives
- Studies on the Proton Magnetic Resonance Spectra in Aromatic Systems. XI. Heteroaromatic Series. III. Discussions on the Coupling Constants of Substituted Pyridines
- Studies on the Proton Magnetic Resonance Spectra in Aromatic Systems. IX. Calculation of π-Electron Charge Density Distribution of the Substituted Benzene and Naphthalene Derivatives and ω-Technique
- Studies on the Nuclear Magnetic Resonance Spectra in Aromatic Systems. VII. Preliminary Discussions on the Coupling Constants in Substituted Aromatics
- Studies on the Nuclear Magnetic Resonance Spectra in Aliphatic Systems. I. Preliminary Discussions on the Chemical Shifts of Alkyl Derivatives
- Studies on the Proton Magnetic Resonance Spectra in Aromatic Systems. III. Discussions on the Substituent Shielding Parameter and π-Electron Charge Density
- π-Electron Charge Densities of Biological Active Heterocyclic Compounds containing a Six-membered Ring with Two Hetero Atoms
- Revised Substituent's Shielding Parameters for the Calculation of π-Electron Charge Density Distribution in Aromatic System
- Studies on the Proton Magnetic Resonance Spectra in Aromatic Systems. IV. Discussions on the 1-Substituted-3,4-dimethoxybenzene Series