Gadhi JE, Bürger H, Mkadmi EB
Département de Physique, UniversitéCadi Ayyad, Marrakech, 40000, Morocco
J Mol Spectrosc. 1998 Oct;191(2):311-315. doi: 10.1006/jmsp.1998.7631.
The nu3 and nu6 infrared bands near 500 cm-1 of monoisotopic D3Si35Cl have been studied with a resolution of 3.3 x 10(-3) cm-1. More than 800 transitions of nu3 and 2600 of nu6 have been assigned and fitted to ground and excited state parameters, final sigma(Fit) = 2.93 x 10(-4) cm-1. Ground state parameters up to quartic terms have been obtained. The excited state model included l(2, 2) and l(2, -1) interactions within nu6 and Coriolis x, y resonance between nu3 and nu6, interaction parameters being determined with high significance in all cases. The band centers nuo were determined, nu3 = 538.502 cm-1 and nu6 = 491.260 cm-1. Excellent agreement of experimental parameters with those from the ab initio harmonic and anharmonic force fields is noted. The transition moment ratio, ||µ3:µ6 || = 1:0.6(1), was determined by band contour simulation. Copyright 1998 Academic Press.
对单同位素D3Si35Cl在500 cm-1附近的ν3和ν6红外波段进行了研究，分辨率为3.3×10(-3) cm-1。已对ν3的800多个跃迁和ν6的2600多个跃迁进行了归属，并拟合到基态和激发态参数，最终σ(Fit)=2.93×10(-4) cm-1。获得了直至四次项的基态参数。激发态模型包括ν6内的l(2, 2)和l(2, -1)相互作用以及ν3和ν6之间的科里奥利x、y共振，在所有情况下相互作用参数的确定都具有高度显著性。确定了谱带中心νo，ν3 = 538.502 cm-1，ν6 = 491.260 cm-1。注意到实验参数与从头算谐波和非谐力场的参数具有极好的一致性。通过谱带轮廓模拟确定了跃迁矩比||µ3:µ6 || = 1:0.6(1)。版权所有1998年学术出版社。
