Reactions of laser ablated Be atoms with O2: Infrared spectra of beryllium oxides in solid argon

Pulsed‐laser ablated beryllium atoms codeposited with O2 in excess argon at 10 K yielded new beryllium–oxygen molecules. The initial reaction to make BeO is endothermic, but activation energy is provided by hyperthermal Be atoms. A strong band at 1572.9 cm−1 and a weak band at 398.9 cm−1 gave oxygen isotopic shifts consistent with a BeO diatomic molecule and are assigned to the O2–BeO complex analogous to the Ar–BeO complex. A sharp band at 1413.2 cm−1 exhibited an oxygen isotopic triplet with 16,18O2 and shifts appropriate for linear OBeO. A nearly coincident band at 1412.4 cm−1 gave an isotopic doublet and shifted in agreement with linear BeOBe. Quantum chemical calculations at the second‐order many‐body perturbation theory [MBPT(2)] level predict 3Σ ground states and ν3 fundamentals at 1422.5 and 1418.2 cm−1 for OBeO and BeOBe, respectively, in excellent agreement with the observed values. Three bands at 1131.2, 866.3, and 522.4 cm−1 increased together on photolysis, yielded isotopic triplets, and agre...

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