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

被引：101

作者：

DONDERS, LA ^{[1
]}

DELEEUW, FAAM ^{[1
]}

ALTONA, C ^{[1
]}

机构：

[1] STATE UNIV LEIDEN,GORLAEUS LAB,POB 9502,2312 AV LEIDEN,NETHERLANDS

来源：

MAGNETIC RESONANCE IN CHEMISTRY | 1989年 / 27卷 / 06期

关键词：

D O I：

10.1002/mrc.1260270608

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：556 / 563

页数：8

共 34 条

[1]

ABRAHAM RJ, 1964, MOL PHYS, V7, P165

[2]

ALTONA C, 1989, MAGN RESONANCE CHEM, V29, P343

[3]

[Anonymous], 1976, ADV PHYS ORG CHEM

[4]

BANWELL CN, 1962, DISCUSS FARADAY SOC, V7, P165

[5]

BOTHNERBY AA, 1965, ADV MAGN RESON, V1, P199

[6] AN EQUATION UTILIZING EMPIRICALLY DERIVED SUBSTITUENT CONSTANTS FOR THE PREDICTION OF VICINAL COUPLING-CONSTANTS IN SUBSTITUTED ETHANES [J].

COLUCCI, WJ ;

JUNGK, SJ ;

GANDOUR, RD .

MAGNETIC RESONANCE IN CHEMISTRY, 1985, 23 (05) :335-343

[7] 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

[8] THROUGH-SPACE EFFECTS ON VICINAL PROTON SPIN SPIN COUPLING-CONSTANTS MEDIATED VIA HETERO ATOMS - NON-EQUIVALENCE OF CIS COUPLINGS IN 5-MEMBERED RINGS [J].

DELEEUW, FAAM ;

VANBEUZEKOM, AA ;

ALTONA, C .

JOURNAL OF COMPUTATIONAL CHEMISTRY, 1983, 4 (03) :438-448

[9]

DIEZ E, IN PRESS

[10]

DONDERS LA, UNPUB

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