Effect of Electronegative Substituents and Angular Dependence on the Heteronuclear Spin—Spin Coupling Constant 3JC-H: An Empirical Prediction Equation Derived by Density Functional Theory Calculations
- Author
- PALERMO, Giulia1 ; RICCIO, Raffaele1 ; BIFULCO, Giuseppe1
[1] Dipartimento di Scienze Farmaceutiche, University of Salerno, Via Ponte Don Melillo, 84084 Fisciano, Salerno, Italy - Source
Journal of organic chemistry. 2010, Vol 75, Num 6, pp 1982-1991, 10 p
- CODEN
- JOCEAH
- ISSN
- 0022-3263
- Scientific domain
- Biochemistry, molecular biology, biophysics; Organic chemistry
- Publisher
- American Chemical Society, Washington, DC
- Publication country
- United States
- Document type
- Article
- Language
- English
- Keyword (fr)
- Amine primaire Analyse structurale Angle torsion Base de données Butane Caractérisation Carbone Isotope Chlorure Complexe hétéronucléaire Composé organique Constante couplage spin spin Constante couplage Effet substituant Electronégativité Etude expérimentale Etude théorique Méthode fonctionnelle densité Pentane Prédiction Spectrométrie RMN Equation Karplus
- Keyword (en)
- Primary amine Structural analysis Twist angle Database Butane Characterization Carbon Isotopes Chlorides Heteronuclear complex Organic compounds Spin spin coupling constant Coupling constant Substituent effect Electronegativity Experimental study Theoretical study Density functional method Pentane Prediction NMR spectrometry
- Keyword (es)
- Amina primaria Análisis estructural Angulo torsión Base dato Butano Caracterización Carbono Isótopo Cloruro Complejo heteronuclear Compuesto orgánico Constante acoplamiento spin spin Constante acoplamiento Efecto sustituyente Electronegatividad Estudio experimental Estudio teórico Pentano Predicción Espectrometría RMN
- Classification
- Pascal
- 001 Exact sciences and technology / 001C Chemistry / 001C03 Organic chemistry / 001C03A General
- Pascal
- 001 Exact sciences and technology / 001C Chemistry / 001C04 Analytical chemistry / 001C04C Spectrometric and optical methods
- Discipline
- Analytical chemistry Organic chemistry
- Origin
- Inist-CNRS
- Database
- PASCAL
- INIST identifier
- 22995209
Sauf mention contraire ci-dessus, le contenu de cette notice bibliographique peut être utilisé dans le cadre d’une licence CC BY 4.0 Inist-CNRS / Unless otherwise stated above, the content of this bibliographic record may be used under a CC BY 4.0 licence by Inist-CNRS / A menos que se haya señalado antes, el contenido de este registro bibliográfico puede ser utilizado al amparo de una licencia CC BY 4.0 Inist-CNRS
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DOI
10.1021/jo902704u 
https://dx.doi.org/10.1021/jo902704u
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