UNEXPECTED CHEMICAL BONDING IN QUANTUM-CONFINED LAYERS IN T1ZRF(5)

Authors
GABUDA SP KOZLOVA SG DAVIDOVICH RL
Citation
Sp. Gabuda et al., UNEXPECTED CHEMICAL BONDING IN QUANTUM-CONFINED LAYERS IN T1ZRF(5), Chemical physics letters, 254(1-2), 1996, pp. 89-93
Citations number
11
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
Chemical physics letters → ACNP
ISSN journal
00092614
Volume
254
Issue
1-2
Year of publication
1996
Pages
89 - 93
Database
ISI
SICI code
0009-2614(1996)254:1-2<89:UCBIQL>2.0.ZU;2-9
Abstract
NMR Tl-203 and Tl-205 spectra of TlZrF5 have been measured. The large Tl-205 chemical shift anisotropy (Delta sigma(xx) = 510 +/- 10 ppm; De lta sigma(yy) = 90 +/- 10 ppm; Delta sigma(zz) = -600 +/- 10 ppm; [sig ma](R) = -170 +/- 10 ppm) and indirect exchange interaction of Tl-203, Tl-205 nuclear spins in Tl layers (J = 14.4 kHz; B = 3.5 kHz) reveal t he involvement of 6s6p sigma hybrid orbitals in the Tl-Tl bonding. The energy gap between the bonding hybrid 6s6p sigma, and nonbonding 6s(2 ) orbitals is Delta E = (36.5 +/- 0.6) x 10(-3) eV.