Asset Details
Do you wish to reserve the book?
Formation of twelve-fold iodine coordination at high pressure
Hey, we have placed the reservation for you!
By the way, why not check out events that you can attend while you pick your title.
Oops! Something went wrong.
Looks like we were not able to place the reservation. Kindly try again later.
Are you sure you want to remove the book from the shelf?
Formation of twelve-fold iodine coordination at high pressure
Do you wish to request the book?
Formation of twelve-fold iodine coordination at high pressure
Please be aware that the book you have requested cannot be checked out. If you would like to checkout this book, you can reserve another copy
We have requested the book for you!
Your request is successful and it will be processed during the Library working hours. Please check the status of your request in My Requests.
Oops! Something went wrong.
Looks like we were not able to place your request. Kindly try again later.
Journal Article
Formation of twelve-fold iodine coordination at high pressure
2022
Overview
Halogen compounds have been studied widely due to their unique hypercoordinated and hypervalent features. Generally, in halogen compounds, the maximal coordination number of halogens is smaller than eight. Here, based on the particle swarm optimization method and first-principles calculations, we report an exotically icosahedral cage-like hypercoordinated IN
6
compound composed of N
6
rings and an unusual iodine−nitrogen covalent bond network. To the best of our knowledge, this is the first halogen compound showing twelve-fold coordination of halogen. High pressure and the presence of N
6
rings reduce the energy level of the 5d orbitals of iodine, making them part of the valence orbital. Highly symmetrical covalent bonding networks contribute to the formation of twelve-fold iodine hypercoordination. Moreover, our theoretical analysis suggests that a halogen element with a lower atomic number has a weaker propensity for valence expansion in halogen nitrides.
High pressure can modify the chemical properties of the elements, giving rise to exotic bonding. Here the authors report the prediction of a nitrogen-rich iodine nitride compound IN
6
where the iodine atom has an unusual twelve-fold coordination, stable above 100 GPa.
