NDLI: Structural Dependence of Isotope Effects in 1h and 13c Nuclear Magnetic Resonance Spectra of the Trans-n-benzylideneaniline Imino Group

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Structural Dependence of Isotope Effects in 1h and 13c Nuclear Magnetic Resonance Spectra of the Trans-n-benzylideneaniline Imino Group

Content Provider	Semantic Scholar
Author	Novak, Predrag Meić, Zlatko Vikic-Topic, Drazen Smrečki, Vilko Plavec, Janez
Copyright Year	1998
Abstract	Abstract Deuterium- and 15N-induced isotope effects on 1H and 13C chemical shifts of the imino moiety of 16 trans-N-benzylideneaniline (tBA) isotopomers were determined and analysed. These effects appear to be a sensitive probe of molecular conformation and its changes. All determined deuterium isotope effects on the imino-proton are small and negative and are spread in the range from −0.88 ppb in 4-2H-tBA to −4.97 ppb in 2H10-tBA. The effects on the imino-carbon are either positive or negative and have much larger values. Negative sign of isotope effects is primarily governed by lone-pairs, while magnitude and non-additivity depend on the site of isotopic substitution, molecular conformation and distribution of rotamer populations. All 15N isotope effects on both 1H and 13C chemical shifts are positive. A comparison of isotope effects in tBA with those in related isoelectronic compounds is made.
Starting Page	327
Ending Page	333
Page Count	7
File Format	PDF HTM / HTML
DOI	10.1016/S1386-1425(97)00241-2
Alternate Webpage(s)	http://www.irb.hr/en/nmr/Papers/pdfs/saa_54_1998_327.pdf
Alternate Webpage(s)	http://www.irb.hr/hr/nmr/Papers/pdfs/saa_54_1998_327.pdf
Alternate Webpage(s)	http://www.irb.hr/hr/nmr/Papers/pdfs/saa_54_1998_327.pdf/
Alternate Webpage(s)	https://doi.org/10.1016/S1386-1425%2897%2900241-2
Volume Number	54
Language	English
Access Restriction	Open
Content Type	Text
Resource Type	Article

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