Millimeter-wave spectrum and molecular constants of cuprous bromide

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Abstract
The rotational spectrum of cuprous bromide (CuBr) has been measured in the millimeter‐wave range from J=13→14 to J=54→55 in the ground and the excited vibrational states to v=7. Analysis of the results with Dunham’s theory yields the following rotational and vibrational constants for the four stable isotopic species. For 63Cu81Br: Y01=3022.19991(36) MHz, Y11=−13.33271(38) MHz, Y21=0.01987(14) MHz, Y31=−0.028(12) kHz, Y02=−1.25331(10) kHz, Y12=0.00055(4) kHz, Y03=−0.00014717(10) Hz, Be=3022.234(16) MHz, ωe=313.087(12) cm−1, ωexe=0.945(1) cm−1; for 63Cu79Br: Y01=3055.67223(40) MHz, Y11=−13.55482(38) MHz, Y21=0.02031(14) MHz, Y31=−0.029(12) kHz, Y02=−1.28122(10) kHz, Y12=0.00056(4) kHz, Y03=−0.00015211(10) Hz, Be=3055.707(16) MHz, ωe=314.816(12) cm−1, ωexe=0.955(1) cm−1; for 65Cu81Br: Y01=2969.88036(40) MHz, Y11=−12.98799(38) MHz, Y21=0.01918(14) MHz, Y31=−0.027(12) kHz, Y02=−1.21029(10) kHz, Y12=0.00052(4) kHz, Y03=−0.00013966(10) Hz, Be=2969.913(16) MHz, ωe=310.365(12) cm−1, ωexe=0.928(1) cm−1; for 65Cu79Br: Y01=3003.35282(40) MHz, Y11=−13.20818(38) MHz, Y21=0.01962(14) MHz, Y31=−0.028(12) kHz, Y02=−1.23772(10) kHz, Y12=0.00054(4) kHz, Y03=−0.00014443(10) Hz, Be=3003.386(16) MHz, ωe=312.110(12) cm−1, ωexe=0.939(1) cm−1. The Dunham potential constants for cuprous bromide are a0=243 091.(20) cm−1, a1=−3.28353(14), a2=7.229(8), a3=−12.77(9). The value re=2.173435(6) Å was obtained from a combined analysis of the four species. From measurements of incompletely resolved Br nuclear quadrupole hyperfine structure, the coupling constant eQq (81Br) =221(8) MHz was obtained.