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Streitwieser A, Abu-Hasanyan F, Neuhaus A, et al. An ab Initio Study of Some Phenyl- and (Halophenyl)alkali Compounds. J Org Chem. 1996;61(9):3151-3154doi: 10.1021/jo9516392.
Streitwieser, A., Abu-Hasanyan, F., Neuhaus, A., & Brown, F. (1996). An ab Initio Study of Some Phenyl- and (Halophenyl)alkali Compounds. The Journal of organic chemistry, 61(9), 3151-3154. https://doi.org/10.1021/jo9516392
Streitwieser, Andrew, et al. "An ab Initio Study of Some Phenyl- and (Halophenyl)alkali Compounds." The Journal of organic chemistry vol. 61,9 (1996): 3151-3154. doi: https://doi.org/10.1021/jo9516392
Streitwieser A, Abu-Hasanyan F, Neuhaus A, Brown F. An ab Initio Study of Some Phenyl- and (Halophenyl)alkali Compounds. J Org Chem. 1996 May 03;61(9):3151-3154. doi: 10.1021/jo9516392. PMID: 11667178.
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J Org Chem. 1996 May 03;61(9):3151-3154. doi: 10.1021/jo9516392.

An ab Initio Study of Some Phenyl- and (Halophenyl)alkali Compounds.

The Journal of organic chemistry

Andrew Streitwieser, Faraj Abu-Hasanyan, Arndt Neuhaus, Frank Brown

Affiliations

  1. Department of Chemistry, University of California, Berkeley, California 94720-1460.

PMID: 11667178 DOI: 10.1021/jo9516392

Abstract

Ab initio calculations are presented for alkali metal derivatives of fluoro- and chlorobenzenes for comparison with previously determined experimental substitutent effects. Calculated substituent effects for one alkali metal are linearly related to those of another. (Difluorophenyl)lithiums show additivity of substituent effects calculated from (monofluorophenyl)lithiums but dichloro derivatives do not, an effect attributed to the higher polarizability of chlorine. meta- and para-fluoro substituents show excellent agreement with experiment. ortho-fluoro and chlorine substituents do not. These differences are rationalized.

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