This document provides an overview of supramolecular chemistry. It begins with a brief history and definitions of key terms like supramolecular chemistry and self-assembly. It then describes various types of non-covalent interactions that hold supramolecular structures together, such as hydrogen bonding, metal-ligand interactions, π-π stacking, and hydrophobic effects. Examples are given of self-assembled structures like grids, helicates, and polyhedral cages. The document concludes by noting the increasing sophistication of supramolecular systems incorporating components like fullerenes and nanoparticles for applications in nanotechnology.
This presentation describes about the preparation, properties, bonding modes, classification and applications of metal Dioxygen Complexes. Also explains the MO diagram of molecular oxygen.
This presentation describes about the preparation, properties, bonding modes, classification and applications of metal Dioxygen Complexes. Also explains the MO diagram of molecular oxygen.
For UG students of All Engineering Branches (Mechanical Engg., Chemical Engg., Instrumentation Engg., Food Technology) and PG students of Chemistry, Physics, Biochemistry, Pharmacy
The link of the video lecture at YouTube is
https://www.youtube.com/watch?v=t3QDG8ZIX-8
An overview of the use of the Marcus Theory to calculate the energies of transition states.
Contributed by: Elizabeth Greenhalgh, Amanda Bischoff, and Matthew Sigman, University of Utah, 2015
Crown ethers
NOMENCLATURE
GENERAL SYNTHESIS OF CROWN ETHER
AZA CROWN
CRYPTAND
APPLICATIONS
1. SYNTHETIC APPLICTION
Esterification
Saponification
Anhydride formation
Potassium permanganate oxidation
Aromatic substitution reactions
Elimination reactions
Displacement reaction
Generation of carbenes
Superoxide anion
Alkylations – 1. o-alkylations
2. c-alkylations
3. n-alkylations
2. ANALYTICAL APPLICATION
Determination of gold in geological samples
Super critical fluid extraction of trace metal from solid and liquid materials
Application of ionic liquids in analytical chemistry
Oxidation and determination of aldehydes
Crown ethers are used in the laboratory as phase transfer catalyst
OTHER APPLICATION
It is used in photocynation
Resolution of racemic mixture
Benzoin condensation
Hetrocyclisation
Synthesis of furanones
Acetylation of secondary amines in presence of primary amine
BASIC DISCUSSION ABOUT THE CROWN ETHER AND CRYPTAND. INCLUDING THEIR BACKGROUND,STRUCTURE,NOMENCLATURE,CAVITY SIZE, SELECTIVITY, SYNTHESIS AND APPLICATIONS.
Photoelectron spectroscopy
- a single photon in/ electron out process
• X-ray Photoelectron Spectroscopy (XPS)
- using soft x-ray (200-2000 eV) radiation to
examine core-levels.
• Ultraviolet Photoelectron Spectroscopy (UPS)
- using vacuum UV (10-45 eV) radiation to
examine valence levels.
PTC IS THE PHASE TRANSFER CATALYSIS HERE TYPES OF PTC ARE DISCUSSED , THEORIES OF CATALYSIS AND MECHANISM OF PTC, ADVANTAGES OF PTC, APPLICATION OF PTC
For UG students of All Engineering Branches (Mechanical Engg., Chemical Engg., Instrumentation Engg., Food Technology) and PG students of Chemistry, Physics, Biochemistry, Pharmacy
The link of the video lecture at YouTube is
https://www.youtube.com/watch?v=t3QDG8ZIX-8
An overview of the use of the Marcus Theory to calculate the energies of transition states.
Contributed by: Elizabeth Greenhalgh, Amanda Bischoff, and Matthew Sigman, University of Utah, 2015
Crown ethers
NOMENCLATURE
GENERAL SYNTHESIS OF CROWN ETHER
AZA CROWN
CRYPTAND
APPLICATIONS
1. SYNTHETIC APPLICTION
Esterification
Saponification
Anhydride formation
Potassium permanganate oxidation
Aromatic substitution reactions
Elimination reactions
Displacement reaction
Generation of carbenes
Superoxide anion
Alkylations – 1. o-alkylations
2. c-alkylations
3. n-alkylations
2. ANALYTICAL APPLICATION
Determination of gold in geological samples
Super critical fluid extraction of trace metal from solid and liquid materials
Application of ionic liquids in analytical chemistry
Oxidation and determination of aldehydes
Crown ethers are used in the laboratory as phase transfer catalyst
OTHER APPLICATION
It is used in photocynation
Resolution of racemic mixture
Benzoin condensation
Hetrocyclisation
Synthesis of furanones
Acetylation of secondary amines in presence of primary amine
BASIC DISCUSSION ABOUT THE CROWN ETHER AND CRYPTAND. INCLUDING THEIR BACKGROUND,STRUCTURE,NOMENCLATURE,CAVITY SIZE, SELECTIVITY, SYNTHESIS AND APPLICATIONS.
Photoelectron spectroscopy
- a single photon in/ electron out process
• X-ray Photoelectron Spectroscopy (XPS)
- using soft x-ray (200-2000 eV) radiation to
examine core-levels.
• Ultraviolet Photoelectron Spectroscopy (UPS)
- using vacuum UV (10-45 eV) radiation to
examine valence levels.
PTC IS THE PHASE TRANSFER CATALYSIS HERE TYPES OF PTC ARE DISCUSSED , THEORIES OF CATALYSIS AND MECHANISM OF PTC, ADVANTAGES OF PTC, APPLICATION OF PTC
ORGANIZATION CHART OF THE PROJECTORGANIZATION CHART OF THE PROJECTORGANIZATION CHART OF THE PROJECTORGANIZATION CHART OF THE PROJECTORGANIZATION CHART OF THE PROJECTORGANIZATION CHART OF THE PROJECTORGANIZATION CHART OF THE PROJECTORGANIZATION CHART OF THE PROJECTORGANIZATION CHART OF THE PROJECTORGANIZATION CHART OF THE PROJECTORGANIZATION CHART OF THE PROJECTORGANIZATION CHART OF THE PROJECTORGANIZATION CHART OF THE PROJECTORGANIZATION CHART OF THE PROJECTORGANIZATION CHART OF THE PROJECT
Assignment Slides- A short intro to chemical bondings, Water molecule, pH.
This is part of larger course of molecular electronics and biomolecules of nanotechnology.
Note- This is just basic concise part I made for assignment, any scientific inaccuracies is probable and highly regretted. Any constructive criticism is welcome.
A non-covalent interaction differs from a covalent bond in that it does not involve the sharing of electrons, but rather involves more dispersed variations of electromagnetic interactions between molecules or within a molecule.
chemical bonding and molecular structure class 11sarunkumar31
hybridisation, bonding and antiboding, dipole moment, VSPER theory, Molecular orbital diagram, Phosphorous pentachloride, ionic bond, bond order, bond enthalpy, bond dissociation, sp and sp2hybridisation, hydrogen bonding,electron pair,lone pair repulsion, resonance structure of ozone, how to find electron pair and lone pair, sp3 hybridization of methane.
Neuro-symbolic is not enough, we need neuro-*semantic*Frank van Harmelen
Neuro-symbolic (NeSy) AI is on the rise. However, simply machine learning on just any symbolic structure is not sufficient to really harvest the gains of NeSy. These will only be gained when the symbolic structures have an actual semantics. I give an operational definition of semantics as “predictable inference”.
All of this illustrated with link prediction over knowledge graphs, but the argument is general.
JMeter webinar - integration with InfluxDB and GrafanaRTTS
Watch this recorded webinar about real-time monitoring of application performance. See how to integrate Apache JMeter, the open-source leader in performance testing, with InfluxDB, the open-source time-series database, and Grafana, the open-source analytics and visualization application.
In this webinar, we will review the benefits of leveraging InfluxDB and Grafana when executing load tests and demonstrate how these tools are used to visualize performance metrics.
Length: 30 minutes
Session Overview
-------------------------------------------
During this webinar, we will cover the following topics while demonstrating the integrations of JMeter, InfluxDB and Grafana:
- What out-of-the-box solutions are available for real-time monitoring JMeter tests?
- What are the benefits of integrating InfluxDB and Grafana into the load testing stack?
- Which features are provided by Grafana?
- Demonstration of InfluxDB and Grafana using a practice web application
To view the webinar recording, go to:
https://www.rttsweb.com/jmeter-integration-webinar
Dev Dives: Train smarter, not harder – active learning and UiPath LLMs for do...UiPathCommunity
💥 Speed, accuracy, and scaling – discover the superpowers of GenAI in action with UiPath Document Understanding and Communications Mining™:
See how to accelerate model training and optimize model performance with active learning
Learn about the latest enhancements to out-of-the-box document processing – with little to no training required
Get an exclusive demo of the new family of UiPath LLMs – GenAI models specialized for processing different types of documents and messages
This is a hands-on session specifically designed for automation developers and AI enthusiasts seeking to enhance their knowledge in leveraging the latest intelligent document processing capabilities offered by UiPath.
Speakers:
👨🏫 Andras Palfi, Senior Product Manager, UiPath
👩🏫 Lenka Dulovicova, Product Program Manager, UiPath
LF Energy Webinar: Electrical Grid Modelling and Simulation Through PowSyBl -...DanBrown980551
Do you want to learn how to model and simulate an electrical network from scratch in under an hour?
Then welcome to this PowSyBl workshop, hosted by Rte, the French Transmission System Operator (TSO)!
During the webinar, you will discover the PowSyBl ecosystem as well as handle and study an electrical network through an interactive Python notebook.
PowSyBl is an open source project hosted by LF Energy, which offers a comprehensive set of features for electrical grid modelling and simulation. Among other advanced features, PowSyBl provides:
- A fully editable and extendable library for grid component modelling;
- Visualization tools to display your network;
- Grid simulation tools, such as power flows, security analyses (with or without remedial actions) and sensitivity analyses;
The framework is mostly written in Java, with a Python binding so that Python developers can access PowSyBl functionalities as well.
What you will learn during the webinar:
- For beginners: discover PowSyBl's functionalities through a quick general presentation and the notebook, without needing any expert coding skills;
- For advanced developers: master the skills to efficiently apply PowSyBl functionalities to your real-world scenarios.
Let's dive deeper into the world of ODC! Ricardo Alves (OutSystems) will join us to tell all about the new Data Fabric. After that, Sezen de Bruijn (OutSystems) will get into the details on how to best design a sturdy architecture within ODC.
Key Trends Shaping the Future of Infrastructure.pdfCheryl Hung
Keynote at DIGIT West Expo, Glasgow on 29 May 2024.
Cheryl Hung, ochery.com
Sr Director, Infrastructure Ecosystem, Arm.
The key trends across hardware, cloud and open-source; exploring how these areas are likely to mature and develop over the short and long-term, and then considering how organisations can position themselves to adapt and thrive.
Accelerate your Kubernetes clusters with Varnish CachingThijs Feryn
A presentation about the usage and availability of Varnish on Kubernetes. This talk explores the capabilities of Varnish caching and shows how to use the Varnish Helm chart to deploy it to Kubernetes.
This presentation was delivered at K8SUG Singapore. See https://feryn.eu/presentations/accelerate-your-kubernetes-clusters-with-varnish-caching-k8sug-singapore-28-2024 for more details.
Epistemic Interaction - tuning interfaces to provide information for AI supportAlan Dix
Paper presented at SYNERGY workshop at AVI 2024, Genoa, Italy. 3rd June 2024
https://alandix.com/academic/papers/synergy2024-epistemic/
As machine learning integrates deeper into human-computer interactions, the concept of epistemic interaction emerges, aiming to refine these interactions to enhance system adaptability. This approach encourages minor, intentional adjustments in user behaviour to enrich the data available for system learning. This paper introduces epistemic interaction within the context of human-system communication, illustrating how deliberate interaction design can improve system understanding and adaptation. Through concrete examples, we demonstrate the potential of epistemic interaction to significantly advance human-computer interaction by leveraging intuitive human communication strategies to inform system design and functionality, offering a novel pathway for enriching user-system engagements.
Search and Society: Reimagining Information Access for Radical FuturesBhaskar Mitra
The field of Information retrieval (IR) is currently undergoing a transformative shift, at least partly due to the emerging applications of generative AI to information access. In this talk, we will deliberate on the sociotechnical implications of generative AI for information access. We will argue that there is both a critical necessity and an exciting opportunity for the IR community to re-center our research agendas on societal needs while dismantling the artificial separation between the work on fairness, accountability, transparency, and ethics in IR and the rest of IR research. Instead of adopting a reactionary strategy of trying to mitigate potential social harms from emerging technologies, the community should aim to proactively set the research agenda for the kinds of systems we should build inspired by diverse explicitly stated sociotechnical imaginaries. The sociotechnical imaginaries that underpin the design and development of information access technologies needs to be explicitly articulated, and we need to develop theories of change in context of these diverse perspectives. Our guiding future imaginaries must be informed by other academic fields, such as democratic theory and critical theory, and should be co-developed with social science scholars, legal scholars, civil rights and social justice activists, and artists, among others.
Transcript: Selling digital books in 2024: Insights from industry leaders - T...BookNet Canada
The publishing industry has been selling digital audiobooks and ebooks for over a decade and has found its groove. What’s changed? What has stayed the same? Where do we go from here? Join a group of leading sales peers from across the industry for a conversation about the lessons learned since the popularization of digital books, best practices, digital book supply chain management, and more.
Link to video recording: https://bnctechforum.ca/sessions/selling-digital-books-in-2024-insights-from-industry-leaders/
Presented by BookNet Canada on May 28, 2024, with support from the Department of Canadian Heritage.
GraphRAG is All You need? LLM & Knowledge GraphGuy Korland
Guy Korland, CEO and Co-founder of FalkorDB, will review two articles on the integration of language models with knowledge graphs.
1. Unifying Large Language Models and Knowledge Graphs: A Roadmap.
https://arxiv.org/abs/2306.08302
2. Microsoft Research's GraphRAG paper and a review paper on various uses of knowledge graphs:
https://www.microsoft.com/en-us/research/blog/graphrag-unlocking-llm-discovery-on-narrative-private-data/
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In this presentation, we examine the challenges and limitations of relying too heavily on PHP frameworks in web development. We discuss the history of PHP and its frameworks to understand how this dependence has evolved. The focus will be on providing concrete tips and strategies to reduce reliance on these frameworks, based on real-world examples and practical considerations. The goal is to equip developers with the skills and knowledge to create more flexible and future-proof web applications. We'll explore the importance of maintaining autonomy in a rapidly changing tech landscape and how to make informed decisions in PHP development.
This talk is aimed at encouraging a more independent approach to using PHP frameworks, moving towards a more flexible and future-proof approach to PHP development.
Essentials of Automations: Optimizing FME Workflows with ParametersSafe Software
Are you looking to streamline your workflows and boost your projects’ efficiency? Do you find yourself searching for ways to add flexibility and control over your FME workflows? If so, you’re in the right place.
Join us for an insightful dive into the world of FME parameters, a critical element in optimizing workflow efficiency. This webinar marks the beginning of our three-part “Essentials of Automation” series. This first webinar is designed to equip you with the knowledge and skills to utilize parameters effectively: enhancing the flexibility, maintainability, and user control of your FME projects.
Here’s what you’ll gain:
- Essentials of FME Parameters: Understand the pivotal role of parameters, including Reader/Writer, Transformer, User, and FME Flow categories. Discover how they are the key to unlocking automation and optimization within your workflows.
- Practical Applications in FME Form: Delve into key user parameter types including choice, connections, and file URLs. Allow users to control how a workflow runs, making your workflows more reusable. Learn to import values and deliver the best user experience for your workflows while enhancing accuracy.
- Optimization Strategies in FME Flow: Explore the creation and strategic deployment of parameters in FME Flow, including the use of deployment and geometry parameters, to maximize workflow efficiency.
- Pro Tips for Success: Gain insights on parameterizing connections and leveraging new features like Conditional Visibility for clarity and simplicity.
We’ll wrap up with a glimpse into future webinars, followed by a Q&A session to address your specific questions surrounding this topic.
Don’t miss this opportunity to elevate your FME expertise and drive your projects to new heights of efficiency.
7. Keywords
Supramolecular chemistry
‐ “the chemistry beyond the molecule” or “the chemistry of the
noncovalent bond” (Lehn 1988, 1994, 1995).
‐ the molecular components are held together and organised by
means of non‐covalent binding interactions.
Metallosupramolecular chemistry
‐ The metals act as a type of “glue” to hold together assemblies
of organic molecules ‐ a term introduced by Constable in 1994.
‐ By employing donor groups in organic molecules (ligands) that
bridge more than one metal centre it is possible to construct
one‐, two‐ or three dimensional architectures, based on M‐L
7
interactions.
8. Molecular Recognition
‐ Molecular recognition is the specific interaction between two
molecules, which are complementary in their geometric and
electronic features (like two fitting pieces of a jigsaw puzzle).
‐ The classical lock and key principle describes the interaction of
components due to their shape and rigidity (preorganization).
Self‐assembly
‐ Recognition between molecules leads to an aggregation, which
finally results in an ensemble that is composed of two or more
discrete units (Philp and Stoddart 1996; Lawrence et al. 1995).
‐ mixing of the components spontaneously affords only one well‐
defined product.
‐ Strict self‐assembly: directly proceeds toward the formation of a well‐
defined aggregate.
‐ Directed (templated) self‐assembly: controlled/influenced by some
additional species, e.g., templates (Lindsey 1991). This means, in an
idealized case self‐assembly follows a “cooperative” or allosteric process.
‐‐‐ thermodynamically most stable species. 8
10. Supermolecules vs. Supramoleular Assemblies
Supermolecules Supermolecular Assemblies
• well‐defined, discrete species formed • polymolecular entities from
from a defined, finite number of spontaneous, but defined association of
molecules many molecules
• the equivalent of low molecular weight • the equivalent of high molecular
organic molecules weight polymers and macromolecules
• host‐guest chemistry • supramolecular self‐assembly
• individual non‐covalent interactions may be weak, but
many of them will still yield “stable” structures while
allowing for “self‐healing” (error correction).
J.‐M. Lehn, Pure Appl. Chem. 1978, 50, 871.
G.M. Whitesides, Science 2002, 295, 2418; 10
Proc. Natl. Acad. Sci. USA 2002, 99, 4769
12. • Ion‐Ion Interactions:
• Strong (200‐300 KJ/mol)
• Ion–ion interactions are non‐directional in nature, meaning
that the interaction can occur in any orientation.
Tetrabutylammonium chloride
For example: Acid‐base pairs in particular in proteins
12
13. • Ion‐Dipole Interactions:
• Moderately strong (50‐200 KJ/mol);
• Stronger when partially covalent (100‐400 KJ/mol)
sodium complex of crown‐5
Cation binding hosts
metal complexes (partially covalent)
13
14. • Dipole‐Dipole Interactions
• Relatively weak (5‐50 KJ/mol)
• Despite being the weakest directional interaction, dipole–dipole interactions are
useful for bringing species into alignment, as the interaction requires a specific
orientation of both entities.
dipole–dipole interactions in acetone; dipole moment 2.91D
14
15. Electrostatic interactions are caused by the attraction (Coulombic)
between opposite charges / differently charged ions or dipoles.
• Ion–ion interactions are non‐directional in nature, meaning
that the interaction can occur in any orientation.
• Ion–dipole and dipole–dipole interactions, however, have
orientation‐dependant aspects requiring two entities to be
aligned such that the interactions are in the optimal direction.
Electrostatic interactions play an important role in understanding the factors
that influence high binding affinities, particularly in biological systems in
which there is a large number of recognition processes that involve charge–
charge interactions; indeed these are often the first interactions between a
substrate and an enzyme.
15
16. • Hydrogen bonding (I)
‐ Hydrogen bond donors are groups with a hydrogen atom attached to an
electronegative atom (such as nitrogen or oxygen), therefore forming a dipole
with the hydrogen atom carrying a small positive charge.
‐ Hydrogen bond acceptors are dipoles with electron‐withdrawing atoms by which
the positively charge hydrogen atom can interact, for example, carbonyl moieties.
A carbonyl accepting a hydrogen bond from a secondary amine donor (a) and (b) the
standard way of expressing donor and acceptor atoms (D, donor atom; A, acceptor atom).
16
20. Multiple Hydrogen‐Bonding Sites in DNA Base Pairs
• complementary arrangements of hydrogen‐bond acceptors/donors for selective
binding
• mutually enforcing donors and acceptors
(a) Primary and secondary hydrogen bond interactions
between guanine and cytosine base‐pairs in DNA
20
(b) And a schematic representation.
23. • . π− Interactions
(i) cation–π interactions ‐ relatively weak (5‐80 KJ/mol)
alkaline‐ and alkaline‐earth metals also form interactions with double‐bond
systems. For example, the interaction of potassium ions with benzene has a
similar energy to the K+ –OH2 interaction.
bis(benzene)chromium
‐ covalent (no charges)
ferrocene
‐mainly covalent
23
24. and (ii) π–π interactions
Weak (5‐50 KJ/mol)
The two types of – interactions:
(a) face‐to‐face; (b) edge‐to‐face.
24
25. (a) Top and (b) side views of the layered structure of graphite, held
together by face-to-face -interactions.
The layered structure of graphite is held together by weak, face‐to‐
face ‐interactions and therefore feels ‘slippery’. It is because of the
slippage between layers that graphite can be used as a lubricant
(albeit in the presence of oxygen).
Interactions involving π‐systems can be found in nature, for example, the
weak face‐to‐face interactions between base‐pairs along the length of the
double helix are responsible for the shape of DNA.
25
26. • van der Waals interactions
(mutually induced dipoles)
• Weak (2‐20 KJ/mol)
• Dispersion effects: London interaction and the exchange and repulsion
interaction
• van der Waals interactions arise from fluctuations of the electron
distribution between species that are in close proximity to one another.
A London interaction between two argon atoms. The shift
of the electron cloud around the nucleus produces
instantaneous dipoles that attract each other 26
28. • Hydrophobic effects
• Hydrophobic effects arise from the exclusion of non‐polar groups or
molecules from aqueous solution. This situation is more energetically
favourable because water molecules interact with themselves or with
other polar groups or molecules preferentially.
Two organic molecules creating a hole within an aqueous
phase, giving rise to the entropic hydrophobic effect –
one hole is more stable than two.
28
32. Discipline of Self‐assembly
Two common types of building blocks for
perpendicular coordination arrangements
bidentate binding pocket tetrahedral metal ion
terdentate binding pocket octahedral metal ion
32
35. Ligand design
Diazines as bridging ligands
6 4 6 N 2
6 3
N N N N
5 N 3
35
36. - Grids
• Grids involve a set of parallel ligand components
held more or less orthogonally to another set of
parallel ligand components with metal ions at
the crossing points.
4 + 4 [2 x 2]
6 + 9 [3 x 3]
36
37. ‐ Pyridazine‐containing grids
Bis‐bidentate ligand
[CuI4(I)4](CF3SO3)4
N N N N
I
Youinou M.‐T., Rahmouni N., Fischer J., Osborn J. A., Angew. Chem. Int. Ed. 37
Engl., 1992, 31, 733.
38. 8+
N N
NH NH
4+ NH N N M NH
N M
N
H H Ph
N N N N
N N N Ph Ph
N
M M
Ph Ph N N
N N N N NH
N N NH
M M
H H N NH N N NH
N N N
Ph
38
Y. Lan, PhD thesis, University of Otago, Dunedin, New Zealand
39. Self‐assembly of tetranuclear [2x2] grid complexes of (L7)2‐
(metal:ligand:base = 4:4:8)
0
N O NO
N
N N
N N N
NH N
N Ph N
O
N O N O N
4 4 (BF4)2.xH2O Ph Ph
Ph
N 8 TEA N NO
O
O N N
N N N
NH O N
N Ph O N
N N N
H2L7 = M (Zn, Cu, Ni, Co)
[ZnII4(L7)4]∙3H2O
[CuII4(L7)4]∙3H2O
[NiII4(L7)4]∙6H2O
[Co4(L7)4](BF4)0.25∙11H2O∙2CH3OH
39
Y. Lan, PhD thesis, University of Otago, Dunedin, New Zealand
40. [CoII4(III)4](BF4)8
Bis‐terdentate ligand
H H
N N
N N
N N N N
III
Ruben M., Lehn, J.‐M., Vaughan G., Chem. Commun., 2003, 1338. 40
41. Molecular Switch
Electrochemical properties of [CoII4(II)4](BF4)8
N N
N N N N
Ph
II
• Ten well‐resolved reversible
reduction steps involving
eleven electrons at ‐20oC;
• The first example of the
highest reported number of
electron transfer steps for a
molecular compound.
Ruben M., Breuning E., Gisselbrecht J. P., Lehn J.‐M., Angew. Chem. Int. 41
Ed., 2000, 39, 4139.
42. Optical properties of [CoII4(III)4](BF4)8
• Optical switching, with
intense reversible colour
changes (pale yellow at
low pH to orange and
finally deep violet above
neutral pH).
Colour change at different pH
42
Ruben M., Lehn J.‐M., Vaughan G., Chem. Commun., 2003, 1338.
43. Gas, Solvent Storages; Gas Separation
• The unsaturated Cu2+ sites were observed
to bind D2 at increased D2 loading
• Crystal structure of Cu3(btc)2 and the
position of the Cu2+‐bound D2 molecules
(yellow spheres) as determined by powder
neutron diffraction. Green, red, and gray
spheres represent Cu, O, and C atoms,
respectively.
• Infrared stretching band at 4100 cm‐1,
characteristic of metal–H2 interactions.
• Zero‐coverage H2 binding enthalpy is
increased.
• H2 adsorption capacity shows H2 uptake.
J. Long, Angew. Chem. Int. Ed. 2008, 47, 6766 – 6779; 43
Batten, Angew. Chem. Int. Ed. 2009, 48, 8919 –8922
44. Supramolecular magnetic materials:
{CuLn} unit:
Ln = Tb
a)
right - ∆. left- Λ
3 {CuLn} units
linked through Right- and left-
trimesic acid: handed
Ln = Dy propellers
interweave to
b) Λ∆ d) give the full
[{CuDy}3]2 motif
The 3-bladed
propeller motif of
{CuDy}3
c) e)
Supramolecular “Double‐Propeller” Dimers of Hexanuclear CuII/LnIII Complexes: A {Cu3Dy3}2 Single‐Molecule
Magnet, G. Novitchi, W. Wernsdorfer, L. F. Chibotaru, J. –P. Costes, C. E. Anson, A. K. Powell, Angew. Chem. 44
Int. Ed., 2009, 48, 1614‐1619.
45. Magnetic behaviour for {CuDy} and [{CuDy}3]2
Hysteresis for
{CuDy} (field
dependence at
M/Ms
different
frequencies).
What is the origin of the dramatic
enhancement of SMM properties
in forming the dodecanuclear
supramolecular complex?
Hysteresis for
[{CuDy}3]2
(field
Answer seems to
dependence M/Ms lie with the
at different
imposed
frequencies).
arrangement of the
Dy centres.
Bulk susceptibility studies show very small Cu-Dy coupling, as expected.
45
46. Guest Tunable Structure and Spin Crossover Properties
SCOF‐2 is [Fe(NCS)2(bpbd)2] and bpbd is 2,3‐bis(4′‐pyridyl)‐2,3‐butanediol
(a) Interpenetrating grid structure of SCOF‐2(guest)
(b) square 1‐D pores where guest molecules reside.
C.J. Kepert, J. AM. CHEM. SOC. 2009, 131, 12106–12108 46