Millimeter- and submillimeter-wave spectrum and molecular constants of cuprous chloride

Abstract

Monomeric cuprous chloride (CuCl) has been produced an an intermediate reaction product of copper and chlorine gas at 1000°K. Rotational transitions of 63Cu35Cl, 65Cu35Cl, 63Cu37Cl, and 65Cu37Cl have been measured in the millimeter and submillimeter wave region. Transitions have been observed in 7 different vibrational states and for J as high as 32→33. Analysis of the data yields the following Dunham and equilibrium coefficients for 63Cu35Cl: Y 01 = 5343.72266(100) MHz, Y 11 = −30.37285(120) MHz, Y 21 = 0.06021(46) MHz, Y 31 = −0.061(50) kHz, Y 02 = −3.89432(77) kHz, Y 12 = 0.00234(47) kHz, Y 03 = −0.0006220(10) Hz, B e = 5343.768(20) MHz, ω e = 417.599(42) cm−1, ω e x e = 1.617(6) cm−1; for 65Cu35Cl: Y 01 = 5284.98184(100) MHz, Y 11 = −29.87340(120) MHz, Y 21 = 0.05889(46) MHz, Y 31 = −0.059(50) kHz, Y 02 = −3.80917(77) kHz, Y 12 = 0.00227(47) kHz, Y 03 = −0.0006017(10) Hz, B e = 5285.026(20) MHz, ω e = 415.297(42) cm−1, ω e x e = 1.599(6) cm−1; for 63Cu37Cl: Y 01 = 5158.15294(100) MHz, Y 11 = −28.80453(120) MHz, Y 21 = 0.05610(46) MHz, Y 31 = −0.056(50) kHz, Y 02 = −3.62854(77) kHz, Y 12 = 0.00214(47) kHz, Y 03 = −0.0005594(10) Hz, B e = 5158.195(20) MHz, ω e = 410.284(42) cm−1, ω e x e = 1.561(6) cm−1; for 65Cu37Cl: Y 01 = 5099.41148(110) MHz, Y 11 = −28.31388(120) MHz, Y 21 = 0.05483(46) MHz, Y 31 = −0.054(50) kHz, Y 02 = −3.54636(77) kHz, Y 12 = 0.00208(47) kHz, Y 03 = −0.0005405(10) Hz, B e = 5099.453(20) MHz, ω e = 407.941(42) cm−1. ω e x e = 1.543(6) cm−1. The Dunham potential constants for cuprous chloride are a 0 = 244588.0(480) cm−1, a 1 = −3.21936(32), a 2 = 6.908(26), a 3 = −11.68(23), and the equilibrium internuclear distance is r e = 2.051177(8) Å.