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Characteristic spin - orbit induced 1H(CH2) chemical shifts upon deprotonation of group 9 polyamine aqua and alcohol complexes

SYSNO ASEP	0329859
Document Type	J - Journal Article
R&D Document Type	Journal Article
Subsidiary J	Článek ve WOS
Title	Characteristic spin - orbit induced 1H(CH2) chemical shifts upon deprotonation of group 9 polyamine aqua and alcohol complexes
Author(s)	Hyvärinen, M. (FI) Vaara, J. (FI) Goldammer, A. (DE) Kutzky, B. (DE) Hegetschweiler, K. (DE) Kaupp, M. (DE) Straka, Michal (UOCHB-X)_{RID, ORCID}
Number of authors	7
Source Title	Journal of the American Chemical Society. - : American Chemical Society - ISSN 0002-7863 Roč. 131, č. 33 (2009), s. 11909-11918
Number of pages	10 s.
Language	eng - English
Country	US - United States
Keywords	relativistic effects ; 1H NMR ; theoretical calculations
Subject RIV	CF - Physical ; Theoretical Chemistry
R&D Projects	GA203/09/2037 GA ČR - Czech Science Foundation (CSF)
	GA202/07/0732 GA ČR - Czech Science Foundation (CSF)
	IAA400550701 GA AV ČR - Academy of Sciences of the Czech Republic (AV ČR)
	IAA400550705 GA AV ČR - Academy of Sciences of the Czech Republic (AV ČR)
CEZ	AV0Z40550506 - UOCHB-X (2005-2011)
UT WOS	000269379400052
DOI	10.1021/ja903637m
Annotation	Combined computational and experimental study of polyamine polyalcohol complexes of group 9 metals shows unprecedented experimental trends in deprotonation 1H NMR chemical shifts. The trends are explained computationally by remarkably large spin-orbit effects on 1H NMR chemical shifts.
Workplace	Institute of Organic Chemistry and Biochemistry
Contact	asep@uochb.cas.cz ; Kateřina Šperková, Tel.: 232 002 584 ; Viktorie Chládková, Tel.: 232 002 434
Year of Publishing	2010

Number of the records: 1