Host–Guest chemistry of self-assembled hemi-cage systems: The dramatic effect of lost pre-organization

Vicente Martí-centelles; Fernanda Duarte Gonzalez; Paul Lusby

doi:10.1002/ijch.201800106

Host–Guest chemistry of self-assembled hemi-cage systems: The dramatic effect of lost pre-organization

Vicente Martí-centelles, Fernanda Duarte Gonzalez, Paul Lusby

Research output: Contribution to journal › Article › peer-review

Abstract / Description of output

New hemi-cage compounds with the formula Pd2(L1)2(L2)2 (L1 = ditopic pyridine ligand, L2 = bpy or TMEDA) have been synthesized and characterized by spectroscopic methods, X-ray crystallography and electronic structure methods. The host–guest chemistry of these new structures, with
naphthoquinone as a guest, reveals the key role of the host shape and flexibility on competitive binding processes. The influence of counteranions, solvent and non-covalent interactions to binding were quantified by Density Functional Theory calculations. Together, this study provides new insights into the con
cept of pre-organized guest binding when applied to charged, coordination-assembled hosts.

Original language	English
Journal	Israel journal of chemistry
Early online date	5 Oct 2018
DOIs	https://doi.org/10.1002/ijch.201800106
Publication status	E-pub ahead of print - 5 Oct 2018

Access to Document

10.1002/ijch.201800106Licence: Creative Commons: Attribution (CC-BY)

20181002 Lusby Israeli-J-Chem_format_revision_finalAccepted author manuscript, 2.47 MBLicence: Creative Commons: Attribution Non-Commercial (CC-BY-NC)

Cite this

@article{da6edccbf59840f8af0bd6f91f13ae75,

title = "Host–Guest chemistry of self-assembled hemi-cage systems: The dramatic effect of lost pre-organization",

abstract = "New hemi-cage compounds with the formula Pd2(L1)2(L2)2 (L1 = ditopic pyridine ligand, L2 = bpy or TMEDA) have been synthesized and characterized by spectroscopic methods, X-ray crystallography and electronic structure methods. The host–guest chemistry of these new structures, with naphthoquinone as a guest, reveals the key role of the host shape and flexibility on competitive binding processes. The influence of counteranions, solvent and non-covalent interactions to binding were quantified by Density Functional Theory calculations. Together, this study provides new insights into the concept of pre-organized guest binding when applied to charged, coordination-assembled hosts.",

author = "Vicente Mart{\'i}-centelles and {Duarte Gonzalez}, Fernanda and Paul Lusby",

year = "2018",

month = oct,

day = "5",

doi = "10.1002/ijch.201800106",

language = "English",

journal = "Israel journal of chemistry",

issn = "0021-2148",

publisher = "Wiley-VCH",

}

TY - JOUR

T1 - Host–Guest chemistry of self-assembled hemi-cage systems: The dramatic effect of lost pre-organization

AU - Martí-centelles, Vicente

AU - Duarte Gonzalez, Fernanda

AU - Lusby, Paul

PY - 2018/10/5

Y1 - 2018/10/5

N2 - New hemi-cage compounds with the formula Pd2(L1)2(L2)2 (L1 = ditopic pyridine ligand, L2 = bpy or TMEDA) have been synthesized and characterized by spectroscopic methods, X-ray crystallography and electronic structure methods. The host–guest chemistry of these new structures, with naphthoquinone as a guest, reveals the key role of the host shape and flexibility on competitive binding processes. The influence of counteranions, solvent and non-covalent interactions to binding were quantified by Density Functional Theory calculations. Together, this study provides new insights into the concept of pre-organized guest binding when applied to charged, coordination-assembled hosts.

AB - New hemi-cage compounds with the formula Pd2(L1)2(L2)2 (L1 = ditopic pyridine ligand, L2 = bpy or TMEDA) have been synthesized and characterized by spectroscopic methods, X-ray crystallography and electronic structure methods. The host–guest chemistry of these new structures, with naphthoquinone as a guest, reveals the key role of the host shape and flexibility on competitive binding processes. The influence of counteranions, solvent and non-covalent interactions to binding were quantified by Density Functional Theory calculations. Together, this study provides new insights into the concept of pre-organized guest binding when applied to charged, coordination-assembled hosts.

U2 - 10.1002/ijch.201800106

DO - 10.1002/ijch.201800106

M3 - Article

SN - 0021-2148

JO - Israel journal of chemistry

JF - Israel journal of chemistry

ER -

Host–Guest chemistry of self-assembled hemi-cage systems: The dramatic effect of lost pre-organization

Abstract / Description of output

Access to Document

Fingerprint

Cite this