Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
One-bond 13C-13C couplings in diacetylenes : Experimental and theoretical studies. / Kamieńska-Trela, Krystyna; Kania, Lidia; Schilf, Wojciech; Balova, Irina.
в: Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, Том 55, № 4, 1999, стр. 817-824.Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
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TY - JOUR
T1 - One-bond 13C-13C couplings in diacetylenes
T2 - Experimental and theoretical studies
AU - Kamieńska-Trela, Krystyna
AU - Kania, Lidia
AU - Schilf, Wojciech
AU - Balova, Irina
PY - 1999
Y1 - 1999
N2 - Carbon-carbon spin-spin coupling constants across one bond have been measured in several mono and dialkyl substituted diacetylenes, in dialkyl substituted tetraacetylene and in trimethylsilyl substituted diacetylene. This provides new examples of the coupling constants across Csp-Csp single bonds, which, so far, have been determined for a very few compounds only. The semi-empirical INDO FPT calculations have been performed for mono substituted diacetylenes with substituents varying along the first row of the Periodical Table. The calculated results revealed that one-bond 13C-13C coupling constants across CC triple bonds with the substituent directly bound to the bond concerned as well as those across the central single CC bond are significantly affected by substituent effects.
AB - Carbon-carbon spin-spin coupling constants across one bond have been measured in several mono and dialkyl substituted diacetylenes, in dialkyl substituted tetraacetylene and in trimethylsilyl substituted diacetylene. This provides new examples of the coupling constants across Csp-Csp single bonds, which, so far, have been determined for a very few compounds only. The semi-empirical INDO FPT calculations have been performed for mono substituted diacetylenes with substituents varying along the first row of the Periodical Table. The calculated results revealed that one-bond 13C-13C coupling constants across CC triple bonds with the substituent directly bound to the bond concerned as well as those across the central single CC bond are significantly affected by substituent effects.
KW - C-C couplings
KW - Diacetylenes
KW - Experimental and theoretical studies
UR - http://www.scopus.com/inward/record.url?scp=0343986741&partnerID=8YFLogxK
U2 - 10.1016/S1386-1425(98)00226-1
DO - 10.1016/S1386-1425(98)00226-1
M3 - Article
AN - SCOPUS:0343986741
VL - 55
SP - 817
EP - 824
JO - SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
JF - SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
SN - 1386-1425
IS - 4
ER -
ID: 96688784