ISSN: 2161-0401
+44 1478 350008
Lawrence M Pratt
Department of Physical, Environmental, and Computer Science, CUNY-Medgar Evers College,
1636 Bedford Ave, Brooklyn, NY 11225
Tanzania
Research Article
A Computational Study of Lithium Carbamate Synthetic Intermediate Structures and Aggregation
Author(s): Lawrence M Pratt
Lawrence M Pratt
Computational quantum chemistry was used to investigate the structures of lithium carbamates in the gas phase and in ethereal solvents. These compounds act as nucleophiles with either inversion or retention of configuration at the chiral center and knowledge of the aggregation state is the first step in understanding the reactivity. The sterically hindered lithium phenyl carbamate is calculated to exist largely as the ether or THF solvated monomer in solution. Higher aggregates are possible in the gas phase, which is often taken as an approximation for solutions in non-polar solvents.
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DOI:
10.4172/2161-0401.1000140