MOLECULAR-ORBITAL CALCULATIONS AND RAMAN MEASUREMENTS FOR 1-ETHYL-3-METHYLIMIDAZOLIUM CHLOROALUMINATES

被引：103

作者：

TAKAHASHI, S

CURTISS, LA

GOSZTOLA, D

KOURA, N

SABOUNGI, ML

机构：

[1] ARGONNE NATL LAB, ARGONNE, IL 60439 USA

[2] NISSHIN STEEL CO LTD, ICHIKAWA 272, JAPAN

[3] SCI UNIV TOKYO, TOKYO 162, JAPAN

来源：

INORGANIC CHEMISTRY | 1995年 / 34卷 / 11期

关键词：

D O I：

10.1021/ic00115a029

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

Raman spectroscopic data are presented for the room-temperature molten salts (AlCl3)(x)(1-ethyl-3-methylimidazolium chloride)(1-x), for x ranging from 0.46 to 0.67. Ab initio molecular orbital theory has been used to compute the structure and vibrational frequencies of some of the anionic and cationic species present in these melts; the results are compared with semiempirical calculations and used to interpret the experiments.

引用

页码：2990 / 2993

页数：4

共 37 条

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[Anonymous], 1986, AB INITIO MOL ORBITA

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