The Library
Structure of molecular tweezer complexes in the solid state: NMR experiments, X-ray investigations, and quantum chemical calculations
Tools
Schaller, Torsten, Buechele, Uta P., Klaerner, Frank-Gerrit, Blaeser, Dieter, Boese, Roland, Brown, Steven P., Spiess, Hans Wolfgang, Koziol, Felix, Kussmann, Joerg and Ochsenfeld, Christian (2007) Structure of molecular tweezer complexes in the solid state: NMR experiments, X-ray investigations, and quantum chemical calculations. Journal of the American Chemical Society, Vol.129 (No.5). pp. 1293-1303. doi:10.1021/ja0666351 ISSN 0002-7863.
Research output not available from this repository.
Request-a-Copy directly from author or use local Library Get it For Me service.
Official URL: http://dx.doi.org/10.1021/ja0666351
Abstract
The structure of supramolecular complexes formed by a naphthalene-spaced tweezer molecule as host and 1,4-dicyanobenzene (DCNB), 1,2,4,5-tetracyanobenzene (TCNB), and 7,7,8,8-tetracyano-p-quinodimethane (TCNQ) as aromatic, electron-deficient guests is investigated by solid-state NMR and X-ray diffraction measurements. Quantum chemical calculations using linear scaling methods are applied to predict and to assign the H-1 NMR chemical shifts of the complexes. By combining experiment and theory, insights into intra- and intermolecular effects influencing the proton chemical shifts of the host-guest system are provided in the solid state.
Item Type: | Journal Article | ||||
---|---|---|---|---|---|
Subjects: | Q Science > QD Chemistry | ||||
Divisions: | Faculty of Science, Engineering and Medicine > Science > Physics | ||||
Journal or Publication Title: | Journal of the American Chemical Society | ||||
Publisher: | American Chemical Society | ||||
ISSN: | 0002-7863 | ||||
Official Date: | 7 February 2007 | ||||
Dates: |
|
||||
Volume: | Vol.129 | ||||
Number: | No.5 | ||||
Number of Pages: | 11 | ||||
Page Range: | pp. 1293-1303 | ||||
DOI: | 10.1021/ja0666351 | ||||
Status: | Peer Reviewed | ||||
Publication Status: | Published | ||||
Access rights to Published version: | Restricted or Subscription Access | ||||
Funder: | Journal of the American Chemical Society | ||||
Grant number: | SFB 452 and SFB 625 |
Data sourced from Thomson Reuters' Web of Knowledge
Request changes or add full text files to a record
Repository staff actions (login required)
View Item |