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

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EGGLESTON, DS
CHODOSH, DF
WEBB, RL
DAVIS, LL
ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS, 1986, 42 : 36 - 38
[2] BIS(TERT-BUTYL ISOCYANIDE)HEXADECACARBONYLHEXAOSMIUM
ORPEN, AG
SHELDRICK, GM
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE, 1978, 34 (JUN): : 1989 - 1991
[3] REACTION OF TERT-BUTYL ISOCYANIDE WITH HYDROGEN CHLORIDE
HONZL, J
KRIVINKA, P
RYSKA, M
COLLECTION OF CZECHOSLOVAK CHEMICAL COMMUNICATIONS, 1971, 36 (09) : 3314 - &
[4] PROTONATION OF PENTAKIS(TERT-BUTYL ISOCYANIDE)IRON
BASSETT, JM
FARRUGIA, LJ
STONE, FGA
JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS, 1980, (09): : 1789 - 1790
[5] MOLECULAR-STRUCTURE AND LIGAND-EXCHANGE REACTIONS OF TRICHLOROTRIS(TERT-BUTYL ISOCYANIDE)VANADIUM(III) - SYNTHESIS OF THE HEXAKIS(TERT-BUTYL ISOCYANIDE)VANADIUM(II) CATION
SILVERMAN, LD
DEWAN, JC
GIANDOMENICO, CM
LIPPARD, SJ
INORGANIC CHEMISTRY, 1980, 19 (11) : 3379 - 3383
[6] NOVEL PHOTOREACTION BETWEEN BENZALDEHYDE AND TERT-BUTYL ISOCYANIDE
WIDERA, RP
SINGER, LA
EASTON, R
ANET, FAL
JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS, 1974, (19) : 784 - 785
[7] TETRACIS(TERT-BUTYL ISOCYANIDE)NICKEL(II) PERCHLORATE
STEPHANY, RW
DRENTH, W
RECUEIL DES TRAVAUX CHIMIQUES DES PAYS-BAS-JOURNAL OF THE ROYAL NETHERLANDS CHEMICAL SOCIETY, 1972, 91 (12): : 1453 - 1458
[8] (TERT-BUTYL ISOCYANIDE) (ETHANOL)NICKEL(II) CHLORIDE
STEPHANY, RW
NOLTE, RJM
DRENTH, W
RECUEIL DES TRAVAUX CHIMIQUES DES PAYS-BAS-JOURNAL OF THE ROYAL NETHERLANDS CHEMICAL SOCIETY, 1973, 92 (02): : 275 - 280
[9] Reactions of tert-butyl isocyanide with distonic radical cations
Nelson, ED
Li, RM
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INTERNATIONAL JOURNAL OF MASS SPECTROMETRY, 1999, 185 : 91 - 96
[10] Photodissociation dynamics of tert-butyl isocyanide at 193 nm
Kang, TY
Shin, SK
Kim, HL
BULLETIN OF THE KOREAN CHEMICAL SOCIETY, 2004, 25 (08): : 1130 - 1132

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