DYNAMICS OF MOLECULAR-HYDROGEN IN THE COMPLEX TRANS-[FE(ETA-2-H-2)(H)(PPH2CH2CH2PPH2)2]BF4 IN THE SOLID-STATE AS REVEALED BY NEUTRON-SCATTERING EXPERIMENTS

被引：38

作者：

ECKERT, J

BLANK, H

BAUTISTA, MT

MORRIS, RH

机构：

[1] INST MAX VON LAUE PAUL LANGEVIN,F-38042 GRENOBLE,FRANCE

[2] UNIV TORONTO,DEPT CHEM,TORONTO M5S 1A1,ONTARIO,CANADA

来源：

INORGANIC CHEMISTRY | 1990年 / 29卷 / 04期

关键词：

D O I：

10.1021/ic00329a035

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

The vibrational spectrum of the Fe(η2-H2)H fragment in trans-[FeH(H2)(PPh2CH2CH2PPh2)2]BF4 has been obtained by inelastic neutron scattering in the range 200–1000 cm−1. High-resolution neutron spectroscopy was also utilized to observe the rotational tunnel splitting of the librational ground state of the dihydrogen ligand at 2.1 cm−1. This and the torsional transitions assigned at 225 and 255 cm−1 are consistent with a modulated double-minimum potential for rotation with one angular degree of freedom. The resulting barrier to rotation of about 2.3 kcal/mol is discussed in terms of its origin in electronic and steric factors and compared with similar results on other molecular hydrogen complexes. © 1990, American Chemical Society. All rights reserved.

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页码：747 / 750

页数：4

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