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

[31] STRUCTURAL AND MECHANISTIC STUDIES OF COORDINATION-COMPOUNDS .16. PREPARATION AND ACID-HYDROLYSIS OF TRANS-BROMO-NITROCOBALT(III) AND TRANS-CHLORO-NITROCOBALT(III) COMPLEXES OF 2,3-DIMETHYL-1,4,8,11-TETRA-AZACYCLOTETRADECA-1,3-DIENE AND 2,3,9,10-TETRAMETHYL-1,4,8,11-TETRA-AZACYCLOTETRADECA-1,3,8,10-TETRAENE
POON, CK
WONG, CL
JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS, 1977, (06): : 523 - 527
[32] All-trans-Retinoic Acid Imprints Expression of the Gut-Homing Marker α4β7 while Suppressing Lymph Node Homing of Dendritic Cells
Evans, Tristan I.
Reeves, R. Keith
CLINICAL AND VACCINE IMMUNOLOGY, 2013, 20 (10) : 1642 - 1646
[33] Lanthanide(III) Complexes of 4,10-Bis(phosphonomethyl)-1,4,7,10-tetraazacyclododecane-1,7-diacetic acid (trans-H6do2a2p) in Solution and in the Solid State: Structural Studies Along the Series
Campello, M. Paula C.
Lacerda, Sara
Santos, Isabel C.
Pereira, Giovannia A.
Geraldes, Carlos F. G. C.
Kotek, Jan
Hermann, Petr
Vanek, Jakub
Lubal, Premysl
Kubicek, Vojtech
Toth, Eva
Santos, Isabel
CHEMISTRY-A EUROPEAN JOURNAL, 2010, 16 (28) : 8446 - 8465
[34] LOW-TEMPERATURE PHOTOLYSIS OF BICYCLO[6.2.0]DECA-2,4,6,9-TETRAENE AND TRANS- AND CIS-9,10-DIHYDRONAPHTHALENES - TETRACYCLO[4.4.0.02,10.05,7]DECA-3,8-DIENE
MASAMUNE, S
SEIDNER, RT
ZENDA, H
WIESEL, M
NAKATSUK.N
BIGAM, G
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1968, 90 (19) : 5286 - &
[35] THE CRYSTAL-STRUCTURE OF 3,7,11,15-TETRAMETHYL-2,4,6,10,14-ALL TRANS-HEXADECAPENTAENOIC ACID (E-5166)
ASHIZAWA, K
KAWAKAMI, Y
SATO, T
YAMATSU, I
HORI, T
MUTO, Y
CHEMICAL & PHARMACEUTICAL BULLETIN, 1985, 33 (07) : 3062 - 3064
[36] Distinct patterns of mitochondrial changes precede induction of apoptosis by all-trans-retinoic acid and N-(4-hydroxyphenyl)retinamide in MCF7 breast cancer cells
Poot, M
Hosier, S
Swisshelm, K
EXPERIMENTAL CELL RESEARCH, 2002, 279 (01) : 128 - 140
[37] Beyond butadiene II:: Thermal isomerization of the [2+2] photodimer of an all-trans-tetraene, (R)-4,4aβ,5,6,10,10a-hexahydro-10aβ-methyl-2(3H)-methyleneanthracene, to a 16-membered [8+8] cycle
Doering, WV
He, JN
Shao, LM
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2001, 123 (37) : 9153 - 9161
[38] Expression of UGT2B7, a UDP-glucuronosyltransferase implicated in the metabolism of 4-hydroxyestrone and all-trans retinoic acid, in normal human breast parenchyma and in invasive and in situ breast cancers
Gestl, SA
Green, MD
Shearer, DA
Frauenhoffer, E
Tephly, TR
Weisz, J
AMERICAN JOURNAL OF PATHOLOGY, 2002, 160 (04): : 1467 - 1479
[39] STEREODYNAMICS OF TRANS-[(T-C4H9)2P(I-C3H7)]2M(CO)CL [M = RH(I) OR IR(I)] - MULTIPLE EQUILIBRIUM CONFORMATIONS - CONFORMATIONAL EXCHANGE ITINERARIES
RITHNER, CD
BUSHWELLER, CH
JOURNAL OF PHYSICAL CHEMISTRY, 1986, 90 (21): : 5023 - 5028
[40] X-RAY-ANALYSIS - CRYSTAL-STRUCTURE OF 3,7,11,15-TETRAMETHYL-2,4,6,10,14-ALL TRANS-HEXADECAPENTAENOIC ACID - COMPARISON WITH CRYSTAL-STRUCTURE OF VITAMIN-A ACID
ASHIZAWA, K
SATO, T
ANALYTICAL SCIENCES, 1990, 6 (01) : 151 - 152

← 1 2 3 4 5 →