The generation and ESR investigation of the BeF radical in rare gas matrices

Abstract

The high temperature generation and ESR investigation of ScH2, YH2, and YD2 radicals in rare gas matrices: A nonequilibrium vaporization technique for solid samples J. Chem. Phys. 74, 6636 (1981); 10.1063/1.441110Generation and ESR investigation of YF2 and Y(CN)2 radicals in rare gas matrices J. Chem. Phys. 73, 4946 (1980); 10.1063/1.439971 ESR investigation of ScF2 isolated in rare gas matrices at 12 K The 13 electron BeF radical has been generated and trapped in argon and krypton matrices at 12 K and studied via ESR spectroscopy. Comparisons are made between BeF and other similar radicals. The calculated dipole moment for BeF is 1.1 D. The magnetic parameters in argon are gll=2.001. gl=2.001. A i,o(Be)= 294(2) MHz, and A i",(19F) = 230(2) MHz. The 19F hfs is unusually isotropic for an MF radical.suggesting that rotational averaging might be occurring. Results of ab initio theoretical calculations are compared to the observed A tensors. The BeF molecule was generated by the codeposition of thermally produced Be atoms and molecular fluorine in the rare gas matrices.4198

Comparing electron-sping-tensor results of first-row radicals with those of higher rows

“…For the metal alkali fluorides, the MRCI results lie within the ranges reported experimentally 34, 35. For MgF and CaF, our calculations favor the most negative range of experimental Δ g ⊥ values (Table VI).…”

Electron-Spin Magnetic Moment (g Factor) of X2Σ+ Diatomic Radicals MX(±) with Nine Valence Electrons (M = Be, B, Mg, Al; X = N, O, F, P, S, Cl). An ab Initio Study

“…In summary, the SO values calculated for the coupling X 2 Σ + (3σ)/1 2 Π r (2π) in class I radicalswhich are larger than the atomic λ(M) valuesindicate that 3σ has sp σ contributions from both centers M and X , as already known via the hfcc's. − …”

“…Previous studies have found that the s(M) character of 3σ increases from 48% in BeF to 60% in BaF, while the p(M) contribution, or sp σ (M) hybridization, complementarily decreases along this series. , As well, for the fluorides and chlorides BeX and MgX, the spin density is large for Be and Mg (∼0.975), and small but not zero (∼0.025) for F and Cl. − …”

Ultracold fluorine production via Doppler cooled BeF

“…The hyperfine structure of 9 BeF (100% abundance) is more complex than in 88 SrF (82.5% of a natural sample) because the former metal has a nuclear spin of I = 3/2 (the same as 135 Ba and 137 Ba 36 ) and this will complicate the laser cooling process. The rovibronic transitions in BeF can be labeled 2 P(case a aJ ) ' 2 S + (case b bJ ) and the Fermi contact term b F in BeF 37 has been reported as b F (Be) = 0.0098 cm À1 . There are 7 hyperfine levels associated with 2 S + (J = 3/2) N = 1 and 4 with 2 S + (J = 1/2) N = 1 and these levels need to be pumped to complete the cooling cycle.…”