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Distance and scalar HH-Coupling correlations in transition metal dihydrides and dihydrogen complexes

Grundemann, S. and Limbach, H. H. and Buntkowsky, G. and Sabo-Etienne, S. and Chaudret, B. (1999):
Distance and scalar HH-Coupling correlations in transition metal dihydrides and dihydrogen complexes.
103, In: Journal of Physical Chemistry A, (24), pp. 4752-4754, [Online-Edition: http://apps.webofknowledge.com/full_record.do?product=WOS&se...],
[Article]

Abstract

The bond-valence bond-length concept has been applied to derive a correlation between the hydrogen-hydrogen and the metal-hydrogen distances in the nonclassical dihydrogen complexes and classical transition metal dihydrides. The parameters of this correlation are similar to those for strong hydrogen-bonded systems. The predicted correlation is supported by 18 neutron structures of transition metal dihydrides or dihydrogen complexes and 2 neutron structures of transition metal trihydride complexes. It is also shown that the bond-valence bond-length concept can also be used to establish a correlation between the dihydrogen distance r(HH) in dihydrogen/dihydride complexes and the scalar coupling constants J(HH)/J(HD)/J(HT) in the different isotopomers of these complexes.

Item Type: Article
Erschienen: 1999
Creators: Grundemann, S. and Limbach, H. H. and Buntkowsky, G. and Sabo-Etienne, S. and Chaudret, B.
Title: Distance and scalar HH-Coupling correlations in transition metal dihydrides and dihydrogen complexes
Language: English
Abstract:

The bond-valence bond-length concept has been applied to derive a correlation between the hydrogen-hydrogen and the metal-hydrogen distances in the nonclassical dihydrogen complexes and classical transition metal dihydrides. The parameters of this correlation are similar to those for strong hydrogen-bonded systems. The predicted correlation is supported by 18 neutron structures of transition metal dihydrides or dihydrogen complexes and 2 neutron structures of transition metal trihydride complexes. It is also shown that the bond-valence bond-length concept can also be used to establish a correlation between the dihydrogen distance r(HH) in dihydrogen/dihydride complexes and the scalar coupling constants J(HH)/J(HD)/J(HT) in the different isotopomers of these complexes.

Journal or Publication Title: Journal of Physical Chemistry A
Volume: 103
Number: 24
Uncontrolled Keywords: molecular-hydrogen complexes temperature neutron-diffraction iridium trihydride complexes x-ray crystal-structures low-barrier bond exchange ligand reactivity
Divisions: 07 Department of Chemistry
07 Department of Chemistry > Physical Chemistry
Date Deposited: 27 Oct 2014 20:40
Official URL: http://apps.webofknowledge.com/full_record.do?product=WOS&se...
Additional Information:

211GM Times Cited:48 Cited References Count:55

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