J 2007

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

MAREK, Radek, Antonín LYČKA, Erkki KOLEHMAINEN, Elina SIEVÄNEN, Jaromír TOUŠEK et. al.

Basic information

Original name

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

Name in Czech

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

Authors

MAREK, Radek (203 Czech Republic, guarantor, belonging to the institution), Antonín LYČKA (203 Czech Republic), Erkki KOLEHMAINEN (246 Finland), Elina SIEVÄNEN (246 Finland) and Jaromír TOUŠEK (203 Czech Republic, belonging to the institution)

Edition

Current Organic Chemistry, Hilversum, Bentham Science Publishers Ltd. 2007, 1385-2728

Other information

Language

English

Type of outcome

Článek v odborném periodiku

Field of Study

10401 Organic chemistry

Country of publisher

Netherlands

Confidentiality degree

není předmětem státního či obchodního tajemství

Impact factor

Impact factor: 3.961

RIV identification code

RIV/00216224:14310/07:00022182

Organization unit

Faculty of Science

UT WoS

000249341000004

Keywords in English

15N NMR spectroscopy; inverse detection; CP/MAS; quantum chemical calculations; 15N chemical shift tensor; hydrogen bonding; tautomerism; complexation

Tags

International impact, Reviewed
Změněno: 7/3/2015 09:21, prof. RNDr. Radek Marek, Ph.D.

Abstract

V originále

Since our previous review article (Curr. Org. Chem. 2002, 6, 35), significant improvements and an array of 15N 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 15N 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 15N solid-state studies. The 15N 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. 1H-15N and 2H-15N distance measurements made by means of 1H detection are currently used in NMR crystallography. User friendly quantum chemical programs allow for the routine calculation of 15N chemical shielding and indirect spin-spin coupling constants, especially using density functional theory (DFT). Applications of 15N 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.

In Czech

Since our previous review article (Curr. Org. Chem. 2002, 6, 35), significant improvements and an array of 15N 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.

Links

LC06030, research and development project
Name: Biomolekulární centrum
Investor: Ministry of Education, Youth and Sports of the CR, Biomolecular centre
MSM0021622410, plan (intention)
Name: Fyzikální a chemické vlastnosti pokročilých materiálů a struktur
Investor: Ministry of Education, Youth and Sports of the CR, Physical and chemical properties of advanced materials and structures
MSM0021622413, plan (intention)
Name: Proteiny v metabolismu a při interakci organismů s prostředím
Investor: Ministry of Education, Youth and Sports of the CR, Proteins in metabolism and interaction of organisms with the environment

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