Conformations of all-trans-cyclododeca-1,4,7,10-tetraene

被引：0

作者：

Yavari, I

Esnaashari, M

Adib, M

机构：

[1] Univ Tarbiat Modaress, Dept Chem, Tehran, Iran

[2] Islamic Azad Univ, Dept Chem, Tehran, Iran

来源：

JOURNAL OF CHEMICAL RESEARCH | 2002年 / 03期

关键词：

conformational energy; ab initio molecular orbital; molecular modelling; cyclic tetraenes;

D O I：

暂无

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Ab initio HF/6-31G* and MP2/6-31G*HH//6-31G* methods were used to calculate the relative energies of the important energy-minimum conformations and transition-state geometries of all-trans-cyclododeca-1,4,7,1 0-tetraene; the calculated energy-barrier for ring inversion of the crown (D-2d) conformation is 36.1 kJ/mol.

引用

页码：124 / 127

页数：4

共 44 条

[1] An ab initio molecular orbital study of the conformational properties of all-(Z)-cyclododeca-1,4,7,10-tetraene
Yavari, I
Esnaashari, M
MONATSHEFTE FUR CHEMIE, 2002, 133 (03): : 299 - 304
[2] An ab initio Molecular Orbital Study of the Conformational Properties of all-(Z)-Cyclododeca-1,4,7,10-tetraene
Issa Yavari
Manzarbanoo Esnaashari
Monatshefte für Chemie / Chemical Monthly, 2002, 133 : 299 - 304
[3] SYNTHESIS OF ALL-CIS-1,4,7,10-CYCLODODECATETRAENE
BRUDERMULLER, M
MUSSO, H
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION IN ENGLISH, 1988, 27 (02): : 298 - 299
[4] Bromination of tricyclo[7.2.1.02,7]dodeca-2,4,6,10-tetraene derivatives:: Highly brominated benzobicyclic systems
Dastan, A
TURKISH JOURNAL OF CHEMISTRY, 2003, 27 (02): : 181 - 187
[5] Bromination of tricyclo[6.3.1.02,7]dodeca-2,4,6,10-tetraene derivatives:: electronic and neighbouring group effects on bromination
Dastan, A
JOURNAL OF CHEMICAL RESEARCH, 2002, (12) : 591 - 592
[6] NICKEL(II) COMPLEXES OF THE 12 AND 14 MEMBERED TETRADENTATE MACROCYCLIC LIGANDS - 2,3,8,9-TETRAPHENYL-1,4,7,10-TETRAAZACYCLO-DIDECA-1,3,7,9-TETRAENE AND 2,3,9,10-TETRAPHENYL-1,4,8,11-TETRAAZACYCLO-TETRADECA-1,3,8,10-TETRAENE
BHOON, YK
SINGH, RP
JOURNAL OF COORDINATION CHEMISTRY, 1981, 11 (02) : 99 - 102
[7] Bromination of tricyclo[7.2.1.02,7]dodeca-2,4,6,10-tetraene derivatives: Electronic and neighboring group effects on bromination
Dastan, A
TURKISH JOURNAL OF CHEMISTRY, 2004, 28 (06) : 715 - 724
[8] (3-PYRIDA-3-[2,6])(6-BENZA-6-[1,4=2,5])(9-PYRIDA-9-[2,6])SPIRO[5.5]UNDECAPHANE-1,4,7,10-TETRAENE
HANSON, AW
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE, 1977, 33 (AUG15): : 2657 - 2659
[9] Synthesis of new cryptands starting from trans (diprotected and disubstituted) 1,4,7,10-tetraazacyclododecane
Mouaziz, H
Montembault, V
Soutif, JC
Brosse, JC
SYNTHETIC COMMUNICATIONS, 2002, 32 (24) : 3763 - 3766
[10] 9,12-DITHIA-TRANS-BICYCLO[6.4.0]DODECA-2,4,6,10-TETRAENE SYSTEM, AN EXAMPLE OF A TRANSFUSED CYCLO-OCTA-1,3,5-TRIENE
MOEGEL, L
SCHROTH, W
WERNER, B
JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS, 1978, (02) : 57 - 58

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