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~(35)Cl NQR Study of Thermoactivated Motions of Nitro Groups in Picryl Chloride

机译:〜(35)Cl NQR研究氯化吡咯中硝基的热活化运动

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The temperature dependences of the ~(35)Cl NQR frequency (ν), spin-lattice relaxation time (T_1), and spin-spin relaxation time (T_2) have been studied in 2, 4, 6-trinitrochlorobenzene (picryl chloride) from 77 K up to the melting point (354 K). The T_1 (T) curve exhibits a pronounced composite mimimum near 300 K which gives evidence for the reorientations of the two ortho-NO_2 groups around their two-fold symmetry axes with the activation energies of 27.4 kJ mol~(-1) and 31.2 kJ mol~(-1). These values can be related to the ortho-NO_2 groups having the twist angles of 33° and 81°, respectively (the crystal structure of picryl chloride is known). The T_2 (T) dependence exhibits interesting features, too: a deep minimum about 140 K and a new rapid decrease above 270 K.
机译:在2,4,6-三硝基氯苯(picryl chloride)中研究了〜(35)Cl NQR频率(ν),自旋晶格弛豫时间(T_1)和自旋自旋弛豫时间(T_2)的温度依赖性。熔点为77 K,最高熔点(354 K)。 T_1(T)曲线在300 K附近表现出明显的复合极小值,这为两个邻位NO_2基团围绕其对称轴的两倍重新取向提供了证据,其活化能为27.4 kJ mol〜(-1)和31.2 kJ摩尔〜(-1)。这些值可以与分别具有33°和81°的扭转角的邻-NO_2基团相关(已知氯化吡啶的晶体结构)。 T_2(T)依赖性也表现出有趣的特征:约140 K的深最小值和高于270 K的新的快速减小值。

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