The microwave spectrum and structure of the argon trifluoroacetonitrile complex

Internal dynamics in the molecular complex of CF3CN and H2O

“…[1][2][3][4][5][6][7][8][9][10][11][12][13] We have reported the rotational analysis of the CF 3 CN-Argon complex. 14 The hydrogen bonding in small water containing clusters has received considerable attention. Water can serve as a proton donor, a proton acceptor, or in some cases as both.…”

Fourier Transform Microwave Spectroscopy of van der Waals Complexes and Metal Containing Species

“…There are however contributions from the four off-axis p orbital electrons, and in chlorine this is expressed as 2q 311 and 2q 31-1 such that the total field gradient for Chlorine is: 1 q Cl = q 310 + 2q 311 + 2q 31-1 (61) The field gradient terms may be evaluated as: 1 (62) The on axis contribution, q nl0 , is given as: 1…”

“…Typical van der Waals interactions, though, have little to no effect on the value of the coupling constant (either χ zz or eQq) in the axis system of the uncomplexed monomer. [62,63] Thus it was argued that the augmentation of the eQq(Cu) values of ArCuF, KrCuF, XeCuF, and OC-CuF along with the supporting binding energy calculations for the complexes (47, 45, and 63, and 150 kJ mol −1 [64], respectively), show the beginning of chemical bonding between the rare gas or CO and the copper fluoride. [42,58,59,61] [42,58,59] but is less than that of the N 2 -CuF and OC-CuF complexes, [60,61] suggesting the beginning of chemical bonding between H 2 and CuF.…”

“…61 Photon emission with energies outside this range may have a significantly different mass energy-absorption coefficient, μ en /ρ, which in the above approximation is assumed to be approximately 0.03 cm 2 /g. 62 The mass energy-absorption coefficient is equivalent to the linear attenuation coefficient divided by the density of the material the photons are traveling through. 61 The linear attenuation coefficient represents the sum of the probabilities of photons interacting with matter via scattering or absorption over a length of the material, and is the inverse of the mean free path.…”

“…61 Additionally, inaccuracy in the calculated dose-rate increases with the distance from the source for low energy emissions which may be significantly attenuated by the medium it travels through. 62 The example below with 237 Np and 233 Pa shows how to do the calculation, but will be shown to be inaccurate due to many of the emission energies being less than 70 keV. 10 It is later compared to an alternate method to show the difference in calculated dose-rates per method.…”