CONFORMATIONAL ANALYSIS .65. CALCULATION BY WESTHEIMER METHOD OF STRUCTURES AND ENERGIES OF A VARIETY OF ORGANIC MOLECULES CONTAINING NITROGEN OXYGEN AND HALOGEN

被引：184

作者：

ALLINGER, NL

HIRSCH, JA

MILLER, MA

TYMINSKI, IJ

机构：

[1] Department of Chemistry, Wayne State University, Detroit

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1969年 / 91卷 / 02期

关键词：

D O I：

10.1021/ja01030a022

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The structures and energies of the conformations of a variety of molecules including ketones, aldehydes, and chlorides and a small number of alcohols, sulfoxides, nitriles, and dichlorides have been calculated by the Westheimer method. The results are generally in good agreement with experiment, indicating the method will be widely useful for functionally substituted organic molecules as well as for hydrocarbons. © 1969, American Chemical Society. All rights reserved.

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页码：337 / &

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[1] CONFORMATIONAL ANALYSIS .57. CALCULATION OF CONFORMATIONAL STRUCTURES OF HYDROCARBONS BY WESTHEIMER-HENDRICKSON-WIBERG METHOD [J].

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JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1967, 89 (17) :4345-&

[2] CONFORMATIONAL ANALYSIS .64. CALCULATION OF STTRUCTURES AND ENERGIES OF UNSATURATED HYDROCARBONS BY WESTHEIMER METHODS [J].

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JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1968, 90 (21) :5773-&

[3] CONFORMATIONAL ANALYSIS .60. IMPROVED CALCULATIONS OF STRUCTURES AND ENERGIES OF HYDROCARBONS BY WESTHEIMER METHOD [J].

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JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1968, 90 (05) :1199-&

[4] CONFORMATIONAL ANALYSIS .56. CHLOROCYCLOHEXANE AND 1-CHLORO-1-METHYLCYCLOHEXANE [J].

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JOURNAL OF ORGANIC CHEMISTRY, 1967, 32 (08) :2391-&

[5] CONFORMATIONAL ANALYSIS .51. CONFORMATIONS OF CYCLOHEXANONE RINGS IN SIMPLE MOLECULES [J].

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JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1966, 88 (13) :2999-&

[6] CONFORMATIONAL ANALYSIS .25. MOLECULAR STRUCTURE OF 1,4-CYCLOHEXANEDIONE [J].

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JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1961, 83 (24) :5028-&

[7] CONFORMATIONAL ANALYSIS .16. ENERGY OF BOAT FORM OF CYCLOHEXANONE - DIRECT MEASUREMENTS OF 2-ALKYL KETONE EFFECTS [J].

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JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1961, 83 (04) :994-+

[8] CONFORMATIONAL ANALYSIS .28. 3-ALKYLKETONE EFFECT [J].

ALLINGER, NL ;

FREIBERG, LA .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1962, 84 (11) :2201-&

[9] CONFORMATIONAL ANALYSIS .11. THE CONFORMERS OF 2-CHLOROCYCLOHEXANONE [J].

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ALLINGER, J ;

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LEBEL, NA .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1960, 82 (22) :5876-5882

[10] CONFORMATIONAL ANALYSIS .17. 1,3-DIAXIAL METHYL-METHYL INTERACTION [J].

ALLINGER, NL ;

MILLER, MA .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1961, 83 (09) :2145-&

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