Unsupported Donor–Acceptor Complexes of Noble Gases with Group 13 Elements

Abstract

Unsupported donor–acceptor complexes of noble gases (Ng) with group 13 elements have been theoretically studied using density functional theory. Calculations reveal that heavier noble gases form thermodynamically stable compounds. The present study reveals that no rigid framework is necessary to stabilize the donor–acceptor complexes. Rather, prepyramidalization at the Lewis acid center may be an interesting alternative to stabilize these complexes. Detailed bonding analyses reveal the formation of two-center–two-electron dative bonding, where Ng atoms act as a donor.

Beryllium bonding with noble gas atoms

“…121 To confirm energetically local minima structures of the studied molecules with all real values of Hessian matrix, frequency calculations were performed. 90 All of these calculations were performed using GAUSSIAN 16 suite of program. 122 To describe various physically meaningful interactive terms, we performed symmetry adapted perturbation theory (SAPT) analysis 123 trimmed to the second order that is, SAPT2 using def2-TZVPP basis set.…”

“…90 Earlier it was believed that they did not want to participate strongly in bond formation. 90 Scientists and researchers have been continuously exploring the bonding behavior, stability and reactivity of noble gases. [91][92][93][94][95][96][97][98][99][100][101][102][103][104][105][106][107][108] Merino et al highlighted the structure and nature of bonding between noble gases and the B 3 + cluster.…”

“…Understanding the exact nature of this non-covalent interaction is very crucial as it may provide valuable information towards trapping of noble gases in an unconfined environment. Most of the studies of trapping noble gases are based on confined environment such as noble gases trapped in fullerene cage, [112][113][114][115][116] supported donoracceptor complexes of noble gases 90 and so forth. Realizing the physical origin of the interaction force may help in designing suitable hosts for possible trapping of noble gases.…”

“…On the other hand, it should be noted that the noble gases have plentiful in electrons and a complete outer electronic shell 90 . Earlier it was believed that they did not want to participate strongly in bond formation 90 .…”

“…On the other hand, it should be noted that the noble gases have plentiful in electrons and a complete outer electronic shell 90 . Earlier it was believed that they did not want to participate strongly in bond formation 90 . Scientists and researchers have been continuously exploring the bonding behavior, stability and reactivity of noble gases 91–108 .…”