In Situ Cryocrystallized Organometallic Liquids

The X-rays carries an invaluable source of information when applied to the chemical systems. Various X-ray based techniques are used nowadays in chemistry, for e.g. X-ray absorption spectroscopy, X-ray diffraction (Single crystal and powder) etc.

The technique of X-ray diffraction is widely pursued by various disciplines of science to obtain the 3D crystal structure of a substance, where otherwise is hard to obtain. Many scientific and technological developments in the past have made this technique robust and trustworthy. In many areas of science, for e.g. molecular dynamics, computational chemistry, etc. one needs a crystal structure of the compound to perform calculations and subsequently do an analysis of the structure-property relationship.

In order to obtain better structures, one needs high-quality single-crystals, without which the chances of getting ‘good chemical structure’ are scarce. But, what if the compound does not crystalizes at all? The technique of in situ cryocrystallization helps to determine the structure of such compound which are liquids at room temperature. With this procedure, the liquid is crystallized under non-ambient conditions (Cryogenics using liquid nitrogen) until the morphology is suitable for further collection of diffraction data using the technique of Single Crystal X-Ray diffraction (SCXRD).

Further refinement of data provides the invaluable information about the chemical structure, crystal packing, various involved inter and intra-molecular interactions, which directly governs the physical and chemical properties of the liquid. The art of in situ cryocrystallization begins with the cooling of liquid (in a capillary tube) to obtain a crystal, where the growth is monitored by the temperature.

  The Effect Of Outdoor Noise On Italian Schools

The cooling of the liquid well below its melting point gives a polycrystalline phase, subsequent steps include raising the temperature to just below the melting point, this process is conducted in an iterative manner to obtain a high-quality crystal with the careful control of the temperature changes. More importantly, this technique needs different experimental and instrumental settings than conventional SCXRD, and some patience too!

There are various reports on the application of this technique applied to low melting solids, ionic liquids etc. However, recent work from our group successfully described the crystal structure determination of organometallics compounds, namely cyclohexadiene iron(0)tricarbonyl complex and methylcyclopentadienyl-manganese (I) tricarbonyl complex.

There are reports that these compounds are important in various chemical applications. Interestingly, the chemical analogs of these compounds are solids at room temperature, which makes these compounds potential candidates for further understanding of bonding features with implications in reactivity and catalysis. Once the crystal structure was established successfully, the chemical bonding between the different metal-ligand interactions was established from the quantum theory of atoms in molecules.

The importance of the synergic effect, which involves the donation from the carbonyl group to the metal center and back donation from the metal to the anti-bonding orbitals of the carbonyl group is explained from this study. Furthermore, Dewar-Chatt-Duncanson model which explains the interactions, involving π-ligands, from the ligand to metal and back donation to the ligand is also well established from such studies.

The importance of weak intermolecular interactions which hold the molecules together in the crystalline solid can also be established. Such studies can be extended to cover a range of organometallic compounds, including lanthanides and actinides and a systematic investigation of the heuristic elements of chemical bonding can be firmly established.

  Can Cultivation Be Part Of A No-Till Farming System?

This study, Investigation of Chemical Bonding in In Situ Cryocrystallized Organometallic Liquids was recently published in the journal ChemPhysChem.

Speak Your Mind!

READ THIS NEXT

NASA Believes Saturn’s Moon Enceladus Could Have Alien Life

As most might know, the gas giants in our solar system all have a multitude of moons and natural satellites […]

The Link Between Intimate Partner Homicides And Firearm Legislation

Firearm use is responsible for nearly 40,000 deaths and 80,000 injuries yearly in the US, with 2018 statistics marking the […]

The Study Of The Universe

The study of the universe is called Cosmology, it is the physical investigation of the universe from the earliest forms […]

World Health Organization Says Trans Fats Should Be Eliminated From By 2023

On Monday the World Health Organization launched an initiative intended to have the governments of the world cease the use […]

Ancient Lost City Discovered In Field In Kansas

Yes, you read that headline correctly. Normally when one thinks of lost cities, they picture crumbling ruins in a dense […]

“Psychobiotics” And The Science Of How Gut Bacteria Can Affect The Human Brain

The connection between the digestive system and the brain is not something new to scientists; the term “gut-brain axis” has […]

A Better Look At Asteroid 216 Kleopatra

Nearly 4.6 billion years ago, the Solar System began forming from a disk of material that surrounded a new star […]