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"
}