1H, 13C and 15N NMR investigation of a new, condensed hexahydro‐1,3,5‐triazine

Simon, András; Tóth, Gábor; Librera, Christian P.; Adam, Waldemar

doi:10.1002/mrc.1204

Cited by 2 publications

(1 citation statement)

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“…An 1 H, 13 C, and 15 N NMR investigation of a new, condensed hexahydro-1,3,5-triazine has been published by Simon et al [398]. Treatment of 2-acetyl-2-methylcyclopentanone with hydrazine hydrate yielded a new condensed hexahydro-1,3,5-triazine (36).…”

Section: Rotation Around the C-n Bondmentioning

confidence: 99%

15N NMR Spectroscopy in Structural Analysis: An Update (2001 - 2005)

Marek¹,

Lyčka²,

Kolehmainen³

et al. 2007

COC

131

110

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Since our previous review article (Curr. Org. Chem. 2002, 6, 35), significant improvements and an array of 15 N NMR applications in structural analysis have been published. This report aims to update coverage of improvements in methodology and various types of applications published over the period 2001 -2005. Substantial progress in cryogenic probe technology and the commercial availability of cryoprobes have facilitated the measurement of 15 N NMR parameters.The number of solid-state applications has increased significantly during the past few years. In contrast to our previous review, this article covers 15 N solid-state studies. The 15 N NMR chemical shifts of organic molecules are routinely measured by using cross-polarization magic-angle spinning (CP/MAS) techniques. The principal values of the chemical shift tensors can also be determined. 1 H-15 N and 2 H-15 N distance measurements made by means of 1 H detection are currently used in NMR crystallography.User friendly quantum chemical programs allow for the routine calculation of 15 N chemical shielding and indirect spinspin coupling constants, especially using density functional theory (DFT).Applications of 15 N NMR spectroscopy in various fields of chemistry are summarized here. Major sections represent tautomerism, complexation, protonation, and hydrogen bonding. The other topics comprise N-alkylation, N-oxidation, regioisomerism, and changes in configuration or conformation.

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Section: Rotation Around the C-n Bondmentioning

confidence: 99%