Internal dynamics and guest binding of a sterically overcrowded host
نویسندگان
چکیده
Faculty for Chemistry and Chemical Biology 6, 44227 Dortmund, Germany. E-mail: guid Institute for Inorganic Chemistry, Georg-Aug 37077 Göttingen, Germany Institute for Physical Chemistry, Georg-Aug 37077 Göttingen, Germany Institute for Inorganic Chemistry and Struct Düsseldorf, Universitätsstr. 1, 40225 Düssel † Electronic supplementary information ( For ESI and crystallographic data in CI 10.1039/c6sc00985a Cite this: Chem. Sci., 2016, 7, 4676
منابع مشابه
Abundant lattice inclusion phenomenon with sterically hindered and inherently shape-selective tetraarylpyrenes.
Tetraarylpyrenes H1-H4 that typify molecular systems with orthogonal planes and lack hydrogen bonding functional groups were designed as new host systems with three distinct domains for guest inclusion. In particular, H2 and H4 hosts are found to include a variety of guest molecules. We have determined 42 crystal structures overall (i) to establish the importance of skeletal features of the hos...
متن کاملInvestigate formation constant of some Amino Acids by p-sulphonato-calix (4) arene in Aqueous Solution
The formation constants (log K), of the complexes formed between a number of amino acids(glycine , L-valine and L-alanine) with p-sulfonatocalix [4] arene at varying temperatures (25± 0.1to 65 ± 0.1 °C) in aqueous solutions and at natural pH of p-sulphonato-calix [4] arene (pH=3.2) bymeans of UV-Vis spectrophotometeric technique have been investigated. At this pH the guestmolecule is in its cat...
متن کاملThe big squeeze: guest exchange in an M4L6 supramolecular host.
Guest exchange in an M4L6 supramolecular host has been evaluated to determine whether host rupture is required for guest ingress and egress. Two mechanistic models were evaluated: one requiring partial dissociation of the host structure to create a portal for guest passage and one necessitating deformation of the host structure to create a dilated aperture for guest passage without host rupture...
متن کاملExternal and internal guest binding of a highly charged supramolecular host in water: deconvoluting the very different thermodynamics.
NMR, UV-vis, and isothermal titration calorimetry (ITC) measurements probe different aspects of competing host-guest equilibria as simple alkylammonium guest molecules interact with both the exterior (ion-association) and interior (encapsulation) of the [Ga(4)L(6)](12-) supramolecular assembly in water. Data obtained by each independent technique measure different components of the host-guest e...
متن کاملVariational Implicit-Solvent Modeling of Host–Guest Binding: A Case Study on Cucurbit[7]uril|
The synthetic host cucurbit[7]uril (CB[7]) binds aromatic guests or metal complexes with ultrahigh affinity compared with that typically displayed in protein-ligand binding. Due to its small size, CB[7] serves as an ideal receptor-ligand system for developing computational methods for molecular recognition. Here, we apply the recently developed variational implicit-solvent model (VISM), numeric...
متن کامل