What is the smallest saturated acyclic alkane that cannot be made?

被引：31

作者：

de Silva, KMN ^{[1
]}

Goodman, JM ^{[1
]}

机构：

[1] Unilever Ctr Mol Sci Informat, Dept Chem, Cambridge CB2 1EW, England

来源：

JOURNAL OF CHEMICAL INFORMATION AND MODELING | 2005年 / 45卷 / 01期

关键词：

D O I：

10.1021/ci0497657

中图分类号：

R914 [药物化学];

学科分类号：

100701 ;

摘要：

Saturated acyclic alkanes may show a high degree of strain if they have many branches close to each other. We report calculations which indicate how strained a molecule may become before it falls apart rapidly at room temperature and so allow us to identify the simplest alkane which cannot be made.

引用

页码：81 / 87

页数：7

共 32 条

[1] THE CONFORMATIONAL EFFECTS OF QUATERNARY CENTERS [J].

ALDER, RW ;

MAUNDER, CM ;

ORPEN, AG .

TETRAHEDRON LETTERS, 1990, 31 (46) :6717-6720

[2] The Cambridge Structural Database: a quarter of a million crystal structures and rising [J].

Allen, FH .

ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE, 2002, 58 (3 PART 1) :380-388

[3] 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

[4] Revisiting the reduction of di-tert-butyl ketone with alkali metals [J].

Bucher, G .

EUROPEAN JOURNAL OF ORGANIC CHEMISTRY, 2003, 2003 (12) :2229-2232

[5] AN INTERNAL COORDINATE MONTE-CARLO METHOD FOR SEARCHING CONFORMATIONAL SPACE [J].

CHANG, G ;

GUIDA, WC ;

STILL, WC .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1989, 111 (12) :4379-4386

[6] Structural and energetics studies of tri- and tetra-tert-butylmethane [J].

Cheng, MF ;

Li, WK .

JOURNAL OF PHYSICAL CHEMISTRY A, 2003, 107 (28) :5492-5498

[7] C167H336 IS THE SMALLEST ALKANE WITH MORE REALIZABLE ISOMERS THAN THE OBSERVED UNIVERSE HAS PARTICLES [J].

DAVIES, RE ;

FREYD, PJ .

JOURNAL OF CHEMICAL EDUCATION, 1989, 66 (04) :278-281

[8] THE DEVELOPMENT AND USE OF QUANTUM-MECHANICAL MOLECULAR-MODELS .76. AM1 - A NEW GENERAL-PURPOSE QUANTUM-MECHANICAL MOLECULAR-MODEL [J].

DEWAR, MJS ;

ZOEBISCH, EG ;

HEALY, EF ;

STEWART, JJP .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1985, 107 (13) :3902-3909

[9] Gomberg and the Nobel Prize [J].

Eberson, L .

ADVANCES IN PHYSICAL ORGANIC CHEMISTRY, VOL 36, 2001, 36 :59-84

[10]

FAVORSKY AE, 1934, B SOC CHIM FR, V1, P46

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