Vol. 12, issue 09, article # 14
pdf Zvereva N. A., Nabiev Sh. Sh., Ponomarev Yu. N. Energies of the S0-->S1 vertical transitions of low electronic states of optically active hydrogen bonding complexes. // Atmospheric and oceanic optics. 1999. V. 12. No. 09. P. 810-814.Copy the reference to clipboard
Abstract:
Energies of the S0--> S1 vertical transitions were calculated for hydrogen bonding complexes which can be formed in the atmosphere from interactions of water molecules with each other and with other hydrogen-containing molecules (for example, HF). An excitation energy is localized in the OH bond of one water molecule, what leads to preservation of the Rydberg character of the S0-->S1 transition and the photodissociation type of the absorption band. Interaction of molecules in a complex results in broadening of the absorption bands of (H2O)n, n = 2 – 6, and (H2O...HF)n, n = 1 – 4, and their shift to the blue region with respect to the corresponding bands of the water monomer. It was determined that this shift for (H2O)n, n = 2 – 6, complexes is from 5566 cm–1 (water dimer) to 7259 cm–1 (water cluster), while for (H2O...HF)n (olygomer structure n = 1, 3, 4) it is from 6211 cm–1 (n = 1) to 7582 cm–1 (n = 4) and 8550 cm–1 (cyclic structure n = 2).