Papers

Peer-reviewed
Dec, 1992

STRUCTURAL PARAMETERS AND INTERNAL ROTATIONAL BARRIERS OF TERT-BUTYLAMMONIUM ION - AM1 AND ABINITIO CALCULATIONS

ZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES
  • H ISHIDA
    • ,
  • Y KUBOZONO
    • ,
  • S KASHINO
    • ,
  • R IKEDA
Volume
47
Number
12
First page
1255
Last page
1256
Language
English
Publishing type
Publisher
VERLAG Z NATURFORSCH
Semiempirical and ab initio MO calculations were performed to estimate the structural parameters of tert-butylammonium ion and its potential energies for the internal rotation of the CH3 and NH3+ groups. The barrier height for the rotation of NH3+ was found to be lower than for that of CH3, corresponding to the C-N bond being longer than the C-C bond.
Link information
Web of Science
https://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=JSTA_CEL&SrcApp=J_Gate_JST&DestLinkType=FullRecord&KeyUT=WOS:A1992KL31600015&DestApp=WOS_CPL
ID information
  • ISSN : 0932-0784
  • Web of Science ID : WOS:A1992KL31600015
Export
BibTeX RIS
To Papers list