Detail publikace

Multivariate Regression with Substituent Shift Increments. IV. 2-(4-X-Phenyl)-1H-isoindole-1,3(2H)-diones and 3-(4-X-Phenyl)2H-1,3-benzoxazine-2,4(3H)-diones.

Holík, M., Friedl, Z., Waisser, K., Gregor, J.

Originální název

Multivariate Regression with Substituent Shift Increments. IV. 2-(4-X-Phenyl)-1H-isoindole-1,3(2H)-diones and 3-(4-X-Phenyl)2H-1,3-benzoxazine-2,4(3H)-diones.

Typ

článek v časopise - ostatní, Jost

Jazyk

angličtina

Originální abstrakt

Two series of para disubstituted benzenes were studied: 2-(4-X-phenyl)-1,3-dihydro-2H-isoindole-1,3-diones and 3-(4-X-phenyl)-3,4-dihydro-2H-1,3-benzoxazine-2,4-diones. Their H-1 and C-13 chemical shifts were correlated with substituent shift increments (SSI) aj and zj, respectively. Significant deviations from plain additivity were observed in the case of delta H3 and delta C13 chemical shifts. This can be explained by changes in diamagnetic anisotropy contribution induced by different twist of 4-substituent from the bezene plane caused by variable substituent in position 1.

Klíčová slova

reversed substituent effect, AM1

Klíčová slova v angličtině

substituent shift increments, NMR spectroscopy, H-1 and C-13, substituent effects, linear regression, proportionality relationship, benzoxazines

Autoři

Holík, M., Friedl, Z., Waisser, K., Gregor, J.

Rok RIV

1999

Vydáno

12. 5. 1999

Nakladatel

ČSCH

Místo

Praha

ISSN

0010-0765

Periodikum

Collection of Czechoslovak Chemical Communication

Ročník

64

Číslo

6

Stát

Česká republika

Strany od

1709

Strany do

1726

Strany počet

18

BibTex

@article{BUT37653,
  author="Miroslav {Holík} and Zdeněk {Friedl} and Karel {Waisser} and Jiří {Gregor}",
  title="Multivariate Regression with Substituent Shift Increments. IV. 2-(4-X-Phenyl)-1H-isoindole-1,3(2H)-diones and 3-(4-X-Phenyl)2H-1,3-benzoxazine-2,4(3H)-diones.",
  journal="Collection of Czechoslovak Chemical Communication",
  year="1999",
  volume="64",
  number="6",
  pages="18",
  issn="0010-0765"
}