VICINAL PROTON-PROTON COUPLING-CONSTANTS .1. FORMULATION OF AN EQUATION INCLUDING INTERACTIONS BETWEEN SUBSTITUENTS

被引：58

作者：

DIEZ, E ^{[1
]}

SANFABIAN, J ^{[1
]}

GUILLEME, J ^{[1
]}

ALTONA, C ^{[1
]}

DONDERS, LA ^{[1
]}

机构：

[1] LEIDEN STATE UNIV,GORLAEUS LAB,2312 AV LEIDEN,NETHERLANDS

来源：

MOLECULAR PHYSICS | 1989年 / 68卷 / 01期

关键词：

D O I：

10.1080/00268978900101961

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

引用

页码：49 / 63

页数：15

共 21 条

[1] CONFORMATIONAL-ANALYSIS .130. MM2 - HYDROCARBON FORCE-FIELD UTILIZING V1 AND V2 TORSIONAL TERMS [J].

ALLINGER, NL .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (25) :8127-8134

[2] RELATIONSHIP BETWEEN PROTON PROTON NMR COUPLING-CONSTANTS AND SUBSTITUENT ELECTRONEGATIVITIES .5. EMPIRICAL SUBSTITUENT CONSTANTS DEDUCED FROM ETHANES AND PROPANES [J].

ALTONA, C ;

IPPEL, JH ;

HOEKZEMA, AJAW ;

ERKELENS, C ;

GROESBEEK, M ;

DONDERS, LA .

MAGNETIC RESONANCE IN CHEMISTRY, 1989, 27 (06) :564-576

[3] CALCULATION OF NMR SPIN SPIN COUPLING-CONSTANTS USING THE EXTENDED HUCKEL MOLECULAR-ORBITAL METHOD [J].

DELEEUW, FAAM ;

HAASNOOT, CAG ;

ALTONA, C .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1984, 106 (08) :2299-2306

[4] EFFECT OF THE SUBSTITUENTS ON THE CONFORMATIONAL BEHAVIOR OF 5-MEMBERED RINGS - APPLICATION TO THE CIS-2,5-DIMETHOXYTETRAHYDROFURAN AND TRANS-2,5-DIMETHOXYTETRAHYDROFURAN [J].

DIEZ, E ;

PALMA, J ;

SANFABIAN, J ;

GUILLEME, J ;

ESTEBAN, AL ;

GALACHE, MP .

JOURNAL OF COMPUTATIONAL CHEMISTRY, 1988, 9 (03) :189-199

[5] RELATIONSHIP BETWEEN PROTON PROTON NMR COUPLING-CONSTANTS AND SUBSTITUENT ELECTRONEGATIVITIES .4. AN EXTENDED KARPLUS EQUATION ACCOUNTING FOR INTERACTIONS BETWEEN SUBSTITUENTS AND ITS APPLICATION TO COUPLING-CONSTANT DATA CALCULATED BY THE EXTENDED HUCKEL-METHOD [J].

DONDERS, LA ;

DELEEUW, FAAM ;

ALTONA, C .

MAGNETIC RESONANCE IN CHEMISTRY, 1989, 27 (06) :556-563

[6]

Ehrenson S., 1973, PROGR PHYS ORG CHEM, V10, P1, DOI DOI 10.1002/9780470171899.CH1

[7] VICINAL PROTON-PROTON COUPLING-CONSTANTS .2. ANALYSIS OF THE EFFECT OF INTERACTION BETWEEN GEMINAL SUBSTITUENTS UPON VICINAL COUPLINGS TO METHYL-GROUPS [J].

GUILLEME, J ;

SANFABIAN, J ;

DIEZ, E ;

BERMEJO, F ;

ESTEBAN, AL .

MOLECULAR PHYSICS, 1989, 68 (01) :65-85

[8]

GUILLEME J, 1986, 23 C AMP MAGN RES RO, P436

[9] THE RELATIONSHIP BETWEEN PROTON-PROTON NMR COUPLING-CONSTANTS AND SUBSTITUENT ELECTRONEGATIVITIES .1. AN EMPIRICAL GENERALIZATION OF THE KARPLUS EQUATION [J].

HAASNOOT, CAG ;

DELEEUW, FAAM ;

ALTONA, C .

TETRAHEDRON, 1980, 36 (19) :2783-2792

[10] AN EXTENDED HUCKEL THEORY .I. HYDROCARBONS [J].

HOFFMANN, R .

JOURNAL OF CHEMICAL PHYSICS, 1963, 39 (06) :1397-&

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