Premium
Is the Molecule BOK Quasi‐Linear?
Author(s) -
Rosmus Pavel
Publication year - 1988
Publication title -
angewandte chemie international edition in english
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 0570-0833
DOI - 10.1002/anie.198813291
Subject(s) - bent molecular geometry , linear molecular geometry , zero point energy , molecule , physics , energy (signal processing) , zero (linguistics) , computational chemistry , chemistry , atomic physics , quantum mechanics , linguistics , philosophy , organic chemistry
Most likely, yes —at least, that is the answer based on the results of SCF calculations. The interconversion of the two equivalent bent equilibrium structures via the linear structure BOK requires an activation energy of only 2 kJ mol −1 , which is probably supplied by the zero‐point vibrational energy.