Unexpected chemical bonding in quantum confined layers in T1ZrF(5)

被引：9

作者：

Gabuda, SP ^{[1
]}

Kozlova, SG ^{[1
]}

Davidovich, RL ^{[1
]}

机构：

[1] RUSSIAN ACAD SCI,INST CHEM,FAR EASTERN DEPT,VLADIVOSTOK 690022,RUSSIA

来源：

CHEMICAL PHYSICS LETTERS | 1996年 / 254卷 / 1-2期

关键词：

D O I：

10.1016/0009-2614(96)00281-3

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

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; Delta sigma(yy) = 90 +/- 10 ppm; Delta sigma(zz) = -600 +/- 10 ppm; [sigma](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 the 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.

引用

页码：89 / 93

页数：5

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