TY - JOUR

T1 - Understanding covalency in molecular f-block compounds from the synergy of spectroscopy and quantum chemistry

AU - Kaltsoyannis, Nikolas

AU - Kerridge, Andrew

PY - 2024/9/30

Y1 - 2024/9/30

N2 - One of the most intensely studied areas of f-block chemistry is the nature of the bonds between the f-element and another species, and in particular the role played by covalency. Computational quantum chemical methods have been at the forefront of this research for decades and have a particularly valuable role, given the radioactivity of the actinide series. The very strong agreement that has recently emerged between theory and the results of a range of spectroscopic techniques not only facilitates deeper insight into the experimental data, but it also provides confidence in the conclusions from the computational studies. These synergies are shining new light on the nature of the f element–other element bond.

AB - One of the most intensely studied areas of f-block chemistry is the nature of the bonds between the f-element and another species, and in particular the role played by covalency. Computational quantum chemical methods have been at the forefront of this research for decades and have a particularly valuable role, given the radioactivity of the actinide series. The very strong agreement that has recently emerged between theory and the results of a range of spectroscopic techniques not only facilitates deeper insight into the experimental data, but it also provides confidence in the conclusions from the computational studies. These synergies are shining new light on the nature of the f element–other element bond.

U2 - 10.1038/s41570-024-00641-y

DO - 10.1038/s41570-024-00641-y

M3 - Review article

VL - 8

SP - 701

EP - 712

JO - Nature Reviews Chemistry

JF - Nature Reviews Chemistry

SN - 2397-3358

IS - 9

ER -