B3LYP/6-31G(d) level of theory) all expected IR bands were found and could be assigned to normal modes. At thermolysis temperatures of ⩾500 °C signals indicative for H 2 CNCH 3 ( 4 ) were found, showing that 3m fragments further at higher temperature. The thermolysis product 2 ( i PrCNC i Pr) withstands the higher thermolysis temperatures. From our study one can conclude that precursor 1 cleanly delivers the monomeric
摘要研究了在室温至600°C的烤箱温度范围内,
胍基
铝酰胺铝前体[Me 2 NC(N i Pr)2] Al(NMe 2)2(1)的气相热解反应。隔离FTIR光谱和飞行时间质谱(
氩气作为载气)。前体1在300°C以上会碎裂,形成i PrCNC i Pr(2)和单体Al(NMe 2)3(3m)。进行了与2和
铝酰胺二聚体3d [Al(NMe 2)3] 2的独立热解序列,并用于解释前体1的断裂结果。化合物3m存在于350–450°C的热解温度范围内,并首次被鉴定出。通过将测得的FTIR光谱与计算出的3m光谱进行比较(D 3点群对称;B3LYP / 6-31G(d)的理论
水平)找到了所有预期的IR波段,并可以分配给正常模式。在⩾500°C的热解温度下,发现指示H 2 CNCH 3(4)的信号,表明在更高的温度下还有3m的碎片。热分解产物2(i PrCNC i Pr)承受较高的热分解温度。从我们的研究中