MOLECULAR-MECHANICS CALCULATION ON OLIGOMERS OF TERT-BUTYL ISOCYANIDE

被引：0

作者：

HUIGE, CJM ^{[1
]}

HEZEMANS, AMF ^{[1
]}

NOLTE, RJM ^{[1
]}

DRENTH, W ^{[1
]}

机构：

[1] UNIV UTRECHT,DEPT ORGAN CHEM,UTRECHT,NETHERLANDS

来源：

RECUEIL DES TRAVAUX CHIMIQUES DES PAYS-BAS-JOURNAL OF THE ROYAL NETHERLANDS CHEMICAL SOCIETY | 1993年 / 112卷 / 01期

关键词：

ATROPISOMERISM; HELICAL POLYMERS; POLY(IMINOMETHYLENES);

D O I：

暂无

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The consistent force-field method developed by Niketic and Rasmussen was applied in molecular-mechanics calculations on the hexamer and hexadecamer of tert-butyl isocyanide, [(CH3)3C-N = C < ]n, n = 6 and 16. Due to the limitations of the computer programme, calculations on the latter oligomer required a united atom approximation for the methyl groups. From the results, it is concluded that a compact helical conformation with a backbone torsional angle of 78.6-degrees and 3.76 units per turn is the energetically most favourable state of these oligomers.

引用

页码：33 / 37

页数：5

共 50 条

[21] Ligand Dynamics of tert-Butyl Isocyanide Oxido Complexes of Molybdenum(IV)
Leppin, Jana
Foerster, Christoph
Heinze, Katja
INORGANIC CHEMISTRY, 2014, 53 (02) : 1039 - 1047
[22] TETRAKIS(TERT-BUTYL ISOCYANIDE)DI-MU-CHLORODIPALLADIUM(I)
RETTIG, MF
MAITLIS, PM
INORGANIC SYNTHESES, 1990, 28 : 110 - 113
[23] NEW CYCLOPENTADIENYLMOLYBDENUM DERIVATIVES CONTAINING TERT-BUTYL ISOCYANIDE AND POLYCYANOOLEFIN LIGANDS
SARAN, MS
KING, RB
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1975, (169): : 25 - 25
[24] PHASE-TRANSFER HOFMANN CARBYLAMINE REACTION - TERT-BUTYL ISOCYANIDE
GOKEL, GW
WIDERA, RP
WEBER, WP
ORGANIC SYNTHESES, 1988, 50-9 : 232 - 235
[25] THE REACTION OF 2-AZAALLENIUM SALTS WITH CARBODIIMIDES AND TERT-BUTYL ISOCYANIDE
ALTALIB, M
JIBRIL, I
JOCHIMS, JC
HUTTNER, G
TETRAHEDRON, 1985, 41 (03) : 527 - 536
[26] Modeling the dehydration of tert-butyl alcohol and avoidance of the formation of oligomers
Bothe, D
Steinkemper, A
Warnecke, HJ
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, 2006, 45 (09) : 2986 - 2993
[27] REACTIONS OF LOW-VALENT METAL-COMPLEXES WITH FLUOROCARBONS .32. TRIS-MU-(TERT-BUTYL ISOCYANIDE)-TRIS(TERT-BUTYL ISOCYANIDE)-TRIANGULO-TRIPLATINUM
FORNIES, J
GREEN, M
LAGUNA, A
MURRAY, M
SPENCER, JL
STONE, FGA
JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS, 1977, (16): : 1515 - 1518
[28] ON THE CALCULATION OF THE STRUCTURE OF TRIS-(TERT-BUTYL)-METHANE
RASMUSSEN, K
JOURNAL OF MOLECULAR STRUCTURE, 1981, 72 (MAR) : 171 - 176
[29] ISOCYANIDE-METAL COMPLEXES .3. REACTIONS OF TERT-BUTYL ISOCYANIDE WITH CYCLOPENTADIENYLMOLYBDENUM CARBONYL DERIVATIVES
KING, RB
SARAN, MS
INORGANIC CHEMISTRY, 1974, 13 (02) : 364 - 367
[30] Palladium-Catalyzed Synthesis of Amidines via tert-Butyl isocyanide Insertion
Palinkas, Noemi
Kollar, Laszlo
Kegl, Tamas
ACS OMEGA, 2018, 3 (11): : 16118 - 16126

← 1 2 3 4 5 →