Alkali metal mediated resorcarene capsules: An ESI-FTICRMS study on gas-phase structure and cation binding of tetraethyl resorcarene and its per-methylated ... View Full Text


Ontology type: schema:ScholarlyArticle      Open Access: True


Article Info

DATE

2002-07

AUTHORS

Marko Mäkinen, Pirjo Vainiotalo, Kari Rissanen

ABSTRACT

Electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry (ESI-FTICRMS) with additional ab initio calculations were used to examine the alkali metal cation binding selectivity (i.e., molecular recognition) and host properties of tetraethyl resorcarene (1) and its per-methylated derivative (2). The significance of intramolecular hydrogen bonding for the crown conformation was demonstrated. The presence of intramolecular flip-flop hydrogen bonding in 1 was confirmed both with calculations and in ND3-exchange experiments. All the alkali metal cations formed host-guest complexes by docking inside the cavity of the host. Complexation with the larger cations, especially Cs+, was favored. All the alkali metal cations also formed dimeric resorcarene capsules with 1. The capsules were directly H-bonded species, with no linking solvent molecules. ND3-exchange experiments and molecular modeling revealed the significance of direct intermolecular H-bonding for the crown conformation of 1 and stability of the capsule structure. More... »

PAGES

851-861

Identifiers

URI

http://scigraph.springernature.com/pub.10.1016/s1044-0305(02)00382-3

DOI

http://dx.doi.org/10.1016/s1044-0305(02)00382-3

DIMENSIONS

https://app.dimensions.ai/details/publication/pub.1035710387

PUBMED

https://www.ncbi.nlm.nih.gov/pubmed/12148809


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Download the RDF metadata as:  json-ld nt turtle xml License info

HOW TO GET THIS DATA PROGRAMMATICALLY:

JSON-LD is a popular format for linked data which is fully compatible with JSON.

curl -H 'Accept: application/ld+json' 'https://scigraph.springernature.com/pub.10.1016/s1044-0305(02)00382-3'

N-Triples is a line-based linked data format ideal for batch operations.

curl -H 'Accept: application/n-triples' 'https://scigraph.springernature.com/pub.10.1016/s1044-0305(02)00382-3'

Turtle is a human-readable linked data format.

curl -H 'Accept: text/turtle' 'https://scigraph.springernature.com/pub.10.1016/s1044-0305(02)00382-3'

RDF/XML is a standard XML format for linked data.

curl -H 'Accept: application/rdf+xml' 'https://scigraph.springernature.com/pub.10.1016/s1044-0305(02)00382-3'


 

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