Publication result detail

Electrostatic effects in ionization equilibria: An AM1 study of reversed substituent effect in 5-fluorobicyclo[3.3.3]undecane-1-carboxylic acid.

Friedl, Z., Böhm, S.

Original Title

Electrostatic effects in ionization equilibria: An AM1 study of reversed substituent effect in 5-fluorobicyclo[3.3.3]undecane-1-carboxylic acid.

English Title

Electrostatic effects in ionization equilibria: An AM1 study of reversed substituent effect in 5-fluorobicyclo[3.3.3]undecane-1-carboxylic acid.

Type

Peer-reviewed article not indexed in WoS or Scopus

Original Abstract

Relative proton transfer enthalpies of sp and ap conformers of 5-fluorobicyclo[3.3.3]undecane-1-carboxylic acid were calculated by means of AM1 method. The reversed substituent effect was observed but overestimated due to Baeyer strain.

English abstract

Relative proton transfer enthalpies of sp and ap conformers of 5-fluorobicyclo[3.3.3]undecane-1-carboxylic acid were calculated by means of AM1 method. The reversed substituent effect was observed but overestimated due to Baeyer strain.

Keywords

reversed substituent effect, AM1

Key words in English

reversed substituent effect, AM1

Authors

Friedl, Z., Böhm, S.

Released

12.05.1994

Publisher

ČSCH

Location

Praha

ISBN

0010-0765

Periodical

Collection of Czechoslovak Chemical Communication

Volume

59

Number

6

State

Czech Republic

Pages from

1467

Pages count

5

BibTex

@article{BUT37908,
  author="Zdeněk {Friedl} and Stanislav {Böhm}",
  title="Electrostatic effects in ionization equilibria: An AM1 study of reversed substituent effect in 5-fluorobicyclo[3.3.3]undecane-1-carboxylic acid.",
  journal="Collection of Czechoslovak Chemical Communication",
  year="1994",
  volume="59",
  number="6",
  pages="5",
  issn="0010-0765"
}