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首页> 外文期刊>Journal of Non-Crystalline Solids: A Journal Devoted to Oxide, Halide, Chalcogenide and Metallic Glasses, Amorphous Semiconductors, Non-Crystalline Films, Glass-Ceramics and Glassy Composites >Complementary use of cw-EPR, HYSCORE and pulsed ENDOR spectroscopies for scanning the environment of unpaired states in a- and c-B_2O_3
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Complementary use of cw-EPR, HYSCORE and pulsed ENDOR spectroscopies for scanning the environment of unpaired states in a- and c-B_2O_3

机译：互补使用cw-EPR，HYSCORE和脉冲ENDOR光谱仪扫描a-和c-B_2O_3中未配对状态的环境

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Paramagnetic states in glass (a-) and crystal (c-) B_2O_3 were induced by #gamma#-irradiation and studied by cw-EPR, HYSCORE and pulsed-ENDOR spectroscopies at 20 K. A four-line-plus shoulder' spectrum was detected by cw-EPR in a- and c-B_2O_3. The cw-EPR spectra were simulated assuming A_(Ia-B_2O_3) = (39.44, 43.45, 22.00 MHz) and A_(I c-B_2O_3) = (20.44, 40.00, 32.00 MHz). Pulsed ENDOR revealed a strong coupling A_(I a-B_2O_3) = (-25, -36, -46 MHz) for a- and c-B_2O_3. A weaker coupling was detected by HYSCORE and pulsed ENDOR spectroscopies with A_(II a-B_2O_3 and c-B_2O_3) = (5.5, 5.6, 6.4 MHz). HYSCORE spectroscopy determined two weak hyperfine couplings of A_(II a-B_2O_3-1) = 5.8 MHz and A_(II a-B_2O_3-2) = 2 MHz when recorded with a #tau#-value of 248 and 168 ns, respectively. Computer simulation of the spectra together with SCF-HF and MNDO calculations determined that the unpaired electron is trapped by an oxygen-dangling bond attached to three-fold coordinated boron. The hfs tensors A_(II a-B_2O_3-1) and A_(II a-B_2O_3-2) for a-B_2O_3 originate from an adjacent ~(11)B atom within two different boroxol rings. The hfs tensor A_(II c-B_2O_3) was attributed to the interaction of the unpaired electron with the next ~(11)B atom that is three-fold coordinated. We report here the complementary use of the cw-EPR, HYSCORE, and pulsed-ENDOR spectroscopies in detecting hyperfine couplings in a glass and crystal.
机译：通过＃γ＃辐射诱导玻璃（a-）和晶体（c-）B_2O_3中的顺磁态，并通过20w的cw-EPR，HYSCORE和脉冲ENDOR光谱学研究。四线加肩谱为由cw-EPR在a-和c-B_2O_3中检测到。假设A_（Ia-B_2O_3）=（39.44，43.45，22.00 MHz）和A_（I c-B_2O_3）=（20.44，40.00，32.00 MHz），模拟了cw-EPR光谱。脉冲ENDOR显示a-和c-B_2O_3的强耦合A_（I a-B_2O_3）=（-25，-36，-46 MHz）。通过HYSCORE和脉冲ENDOR光谱法检测到较弱的耦合，其中A_（II a-B_2O_3和c-B_2O_3）=（5.5、5.6、6.4 MHz）。当用＃tau＃值分别记录248和168 ns记录时，HYSCORE光谱法确定了A_（II a-B_2O_3-1）= 5.8 MHz和A_（II a-B_2O_3-2）= 2 MHz的两个弱超精细耦合。光谱的计算机模拟以及SCF-HF和MNDO计算确定未配对的电子被附着在三重配位硼上的氧悬挂键捕获。 a-B_2O_3的hfs张量A_（IIa-B_2O_3-1）和A_（IIa-B_2O_3-2）来自两个不同的硼环上的相邻〜（11）B原子。 hfs张量A_（II c-B_2O_3）归因于未成对电子与下一个〜（11）B原子的三重配位相互作用。我们在这里报告cw-EPR，HYSCORE和脉冲ENDOR光谱仪在检测玻璃和晶体中的超精细耦合中的补充使用。

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