THE LIPOPHILICALLY WRAPPED POLYION AGGREGATE (H120C144O24(OP)(2)N-NA6+), A HEXAMERIC SODIUM TETRAPHENYL IMIDODIPHOSPHATE CONTAINING AN [NA6O12] CORE IN A HYDROCARBON ELLIPSOID

被引:30
作者
BOCK, H
SCHODEL, H
HAVLAS, Z
HERRMANN, E
机构
[1] ACAD SCI CZECH REPUBL,INST ORGAN CHEM & BIOCHEM,PRAGUE,CZECH REPUBLIC
[2] HSCH TECHN & WIRTSCHAFT,D-01069 DRESDEN,GERMANY
来源
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION IN ENGLISH | 1995年 / 34卷 / 12期
关键词
POLYION AGGREGATES; SODIUM COMPOUNDS; STRUCTURE ELUCIDATION;
D O I
10.1002/anie.199513551
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
An amazingly simple access by dissolving barium metal in tBuOH, addition of nBuLi, and crystallization from THF/hexane leads to the polyion aggregate 1. The novel polyhedral Ba6Li3O2 core has a charge of 11+ and is surrounded by an ellipsoidal C56H123 hydrocarbon skin. Density functional calculations for a 33‐center/460‐electron model revealed that it is indeed a polyion aggregate, and that weak interactions exist between the two oxygen centers in the polyhedron. In the second communication the hydrocarbon ellipsoid of the polyion aggregate consists of 24 phenyl groups, and the interactions between them are analyzed. (Figure Presented.) Copyright © 1995 by VCH Verlagsgesellschaft mbH, Germany
引用
收藏
页码:1355 / 1357
页数:3
相关论文
共 21 条
[11]   POTENTIAL-ENERGY SURFACE OF THE BENZENE DIMER - AH INITIO THEORETICAL-STUDY [J].
HOBZA, P ;
SELZLE, HL ;
SCHLAG, EW .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1994, 116 (08) :3500-3506
[12]   PI-PI-INTERACTIONS - THE GEOMETRY AND ENERGETICS OF PHENYLALANINE PHENYLALANINE INTERACTIONS IN PROTEINS [J].
HUNTER, CA ;
SINGH, J ;
THORNTON, JM .
JOURNAL OF MOLECULAR BIOLOGY, 1991, 218 (04) :837-846
[13]   THE NATURE OF PI-PI INTERACTIONS [J].
HUNTER, CA ;
SANDERS, JKM .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1990, 112 (14) :5525-5534
[14]  
Huzinaga S., 1984, GAUSSIAN BASIS SETS
[15]   THE STRUCTURE OF TETRAPHENYL IMIDODIPHOSPHATE, C24H21NO6P2 [J].
KULPE, S ;
SEIDEL, I ;
HERRMANN, E .
CRYSTAL RESEARCH AND TECHNOLOGY, 1984, 19 (05) :661-668
[16]  
KULPE S, 1981, Z CHEM, V24, P333
[17]   EFFICIENCY OF TETRAPHENYLIMIDO DIPHOSPHATE AS AN EXTRACTANT [J].
NAVRATIL, O ;
HERRMANN, E .
COLLECTION OF CZECHOSLOVAK CHEMICAL COMMUNICATIONS, 1992, 57 (08) :1655-1657
[18]  
NIELSEN ML, 1964, INORG CHEM, V3, P1760
[19]   TETRAPHENYL IMIDODIPHOSPHATE, SALTS, AND COMPLEXES [J].
RICHTER, H ;
FLUCK, E ;
RIFFEL, H ;
HESS, H .
ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE, 1983, 496 (01) :109-116
[20]  
SCHMIDT MW, 1990, QCPE B, V10, P52