@article {1316, title = {The 4051-angstrom band of C-3 ((A)over-tilde(1)Pi(u)-(X)over-tilde(1)Sigma(+)(g), 000-000): Perturbed low-J lines and lifetime measurements}, journal = {Journal of Chemical Physics}, volume = {122}, number = {24}, year = {2005}, note = {ISI Document Delivery No.: 943DNTimes Cited: 5Cited Reference Count: 31}, month = {Jun}, pages = {8}, type = {Article}, abstract = {Rotational analyses have been carried out at high resolution for the 000-000 and 000-100 bands of the A (1)Pi(u)-X (1)Sigma(g)(+) transition of supersonic jet-cooled C-3. Two different spectra have been recorded for each band, using time gatings of 20-150 and 800-2300 ns. At the shorter time delay the spectra show only the lines observed by many previous workers. At the longer time delay many extra lines appear, some of which have been observed previously by [McCall Chem. Phys. Lett. 374, 583 (2003)] in cavity ring-down spectra of jet-cooled C-3. Detailed analysis of these extra lines shows that at least two long-lived states perturb the A (1)Pi(u), 000 state. One of these appears to be a (3)Sigma(u)(-) vibronic state, which may possibly be a high vibrational level of the b (3)Pi(g) state, and the other appears to be a P=1 state with a low rotational constant B. Our spectra also confirm the reassignment by McCall of the R(0) line of the 000-000 band, which is consistent with the spectra recorded towards a number of stars that indicate the presence of C-3 in the interstellar medium. Fluorescence lifetimes have been measured for a number of upper-state rotational levels. The rotational levels of the A (1)Pi(u) state have lifetimes in the range of 230-190 ns, decreasing slightly with J; the levels of the perturbing states have much longer lifetimes, with some of them showing biexponential decays. An improved value has been obtained for the nu(1) vibrational frequency of the ground state, nu(1)=1224.4933 +/- 0.0029 cm(-1). (c) 2005 American Institute of Physics.}, keywords = {C3, CHAIN, EMISSION-SPECTRA, INTERSTELLAR C-3, MOLECULE, SPECTROSCOPY, STATES, TRANSITION, TRANSLUCENT SIGHT LINES}, isbn = {0021-9606}, url = {://000230332400023}, author = {Zhang, G. Q. and Chen, K. S. and Merer, A. J. and Hsu, Y. C. and Chen, W. J. and Shaji, S. and Liao, Y. A.} } @article {949, title = {Electron binding energies of Si 2p and S 2p for Si- and S-containing substances by DFT calculations using the model molecules}, journal = {Polymer Journal}, volume = {36}, number = {8}, year = {2004}, note = {ISI Document Delivery No.: 860UCTimes Cited: 2Cited Reference Count: 39}, pages = {600-606}, type = {Article}, abstract = {Si 2p and S 2p core-electron binding energies (CEBE)s of Si- and S-containing molecules were calculated by deMon DFT program using Slater{\textquoteright}s transition-state (TS) concept. In the previous works, we could not obtain the calculated values to the experimental ones of third periodic 2p CEBEs for the molecules within the range of averaged absolute deviation (AAD) of 1.0eV, although the values were calculated by the unrestricted generalized transition-state (uGTS) method. Here, we were able to get the reasonable Si 2p and S 2p CEBEs of 11, and 12 gas molecules in the AAD of 0.37 and 0.46 eV, respectively from the CEBE calculations by the unrestricted generalized diffuse ionization (uGDI) method with a modification of screening constants for third periodic elements of the 2p core-hole. Furthermore, we estimated WD (work function and the other energies) values of seven Si- and S-containing polymers [(Si(CH3)(2))(n) (PDMS), (Si(CH3)(2)O)(n), (PDMSO), (Si(C6H5)CH3)(n) (PMPS), (Si(C6H5)CH3O)(n) (PPMSO), ((CH2CH2)S)(n) (PETHS), ((CH2(CH2)(4)CH2)SO2). (PHMS), ((C6H4)S)(n) (PPS)] from the differences between calculated CEBE values for the model molecules and experimental ones on the solid polymers.}, keywords = {APPROXIMATION, CALCULATIONS, CORE, core-electron binding energy, DENSITY-FUNCTIONAL THEORY, DFT, EMISSION-SPECTRA, ESCA, FILMS, FLUORESCENCE, ION IRRADIATION, POLYMER CONVERSION, X-ray photoelectron, X-ray photoelectron spectra}, isbn = {0032-3896}, url = {://000224367800004}, author = {Motozaki, W. and Otsuka, T. and Endo, K. and Chong, D. P.} } @article {2960, title = {FIRST SPECTROSCOPIC EVIDENCE FOR A MUONIUM-CONTAINING MOLECULE - NEMU-ASTERISK CHEMILUMINESCENCE}, journal = {Journal of Chemical Physics}, volume = {101}, number = {2}, year = {1994}, note = {ISI Document Delivery No.: NW979Times Cited: 4Cited Reference Count: 102}, month = {Jul}, pages = {1202-1218}, type = {Review}, abstract = {Evidence for the formation of NeMu*, an isotopic analog of the Rydberg molecule NeH*, has been obtained from the observation of chemiluminescent emission in the near-infrared region. This is the first spectroscopic detection of a muonium-containing molecule. NeMu* was formed by stopping a 4 MeV muon (mu(+)) beam in a target vessel containing 1-6 atm of Ne and. similar to 1 Torr Ar. The wavelength spectrum of the emission, from similar to 680-1000 nm, was measured, using a variable-wavelength filter, with a resolution of +/-12.5 nm. Lower resolution spectra were also taken with a series of long pass filters. A complete histogram of photon events vs time was collected for each wavelength. Two strong transitions are observed, centered at 818 and 943 nm. Identification of NeMu* was made by a comparison of the experimental spectrum with a simulated spectrum based on detailed ad initio calculations, extended to higher excitation levels than had heretofore been reported. Both experimental and theoretical results are reported here. Although the mechanism by which the emitting states in NeMu* are formed remains unclear, radiolysis effects appear to play a dominant role, indicating that NeMu(+) (the product of muon thermalization in Ne) undergoes charge exchange with metastable Ar* and/or is neutralized by a spur electron, both species produced during the slowing down of the high energy muon.}, keywords = {2-SIGMA-2-SIGMA TRANSITIONS, CHARGE-EXCHANGE COLLISIONS, COMPETING PROCESSES, DISSOCIATION, EMISSION-SPECTRA, EXCITED-STATES, GAUSSIAN-BASIS SETS, radiative, RARE-GAS HYDRIDES, REACTION-KINETICS, Rydberg states}, isbn = {0021-9606}, url = {://A1994NW97900034}, author = {Baer, S. and Fleming, Donald G. and Sloan, J. J. and Arseneau, D. J. and Kolbuszewski, M. and Wright, J. and Senba, M. and Pan, J. J. and Snooks, R.} }