Polyamidoimidonitride clusters of zirconium - A molecular orbital study

Zeitschrift fur Anorganische und Allgemeine Chemie

Volumn 622, Issue 3, 1996, Pages 392-400

  Lawler, Kimberly A ^a,b   Hoffmann, Roald ^a   Banaszak Holl, Mark M ^a,c   Wolczanski, Peter T ^a  

^a Department of Molecular Biology and Genetics   (United States)

^b CALIFORNIA STATE UNIVERSITY   (United States)

^c BROWN UNIVERSITY   (United States)

Author keywords

Interstitial nitride; MO calculations; Zirconium polyamidoimidonitride cluster

Indexed keywords

EID: 0030540816     PISSN: 00442313     EISSN: None     Source Type: Journal    
DOI: 10.1002/zaac.19966220303     Document Type: Article

References (27)

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23. basal distances were kept constant and the hydrogens on the distorted amides run into steric complications with the remaining amide bridge. Note the in the case of 3, the placement of the unperturbed amide bridge is dictated by symmetry, unlike the basal bridging amides in 2
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