TY - JOUR
T1 - Experimental potential functions for open and closed shell molecular ions
T2 - Adiabatic and nonadiabatic corrections in X3Σ- OH+ and X1Σ+ ArH+
AU - Gruebele, Martin
AU - Keim, Eric
AU - Stein, Alan
AU - Saykally, Richard J.
N1 - Funding Information:
This researchw ass upportedb y the NationalS cienceF oundation( Grant CHE86-1 2296)a, nd the NSF PresidentiaYl oung Investigatopr rogram.M .G. would like to thankt he Dow ChemicalC ompanyf or a fellowshipT. he authorsa lsot hankK . B. Laughlinf or helpfuld iscussions.
PY - 1988/10
Y1 - 1988/10
N2 - We have measured 43 transitions in the pure rotational and fundamental vibrational spectra of 18OH+. These data, together with all ground state transitions and combination differences of OH+ and 16OH+ available from the literature, have been fit to an explicity internuclear distance dependent rovibrational Hamiltonian to yield several descriptions of the OH+ potential function. Significant adiabatic and rotationally and vibrationally nonadiabatic corrections are required to fit all 407 isotopomeric transitions simultaneously. Similar fits are also performed on the closed shell species ArH+, yielding an approximate vibrational correction to the recently determined experimental permanent dipole moment of that ion.
AB - We have measured 43 transitions in the pure rotational and fundamental vibrational spectra of 18OH+. These data, together with all ground state transitions and combination differences of OH+ and 16OH+ available from the literature, have been fit to an explicity internuclear distance dependent rovibrational Hamiltonian to yield several descriptions of the OH+ potential function. Significant adiabatic and rotationally and vibrationally nonadiabatic corrections are required to fit all 407 isotopomeric transitions simultaneously. Similar fits are also performed on the closed shell species ArH+, yielding an approximate vibrational correction to the recently determined experimental permanent dipole moment of that ion.
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U2 - 10.1016/0022-2852(88)90244-5
DO - 10.1016/0022-2852(88)90244-5
M3 - Article
AN - SCOPUS:0000495081
SN - 0022-2852
VL - 131
SP - 343
EP - 366
JO - Journal of Molecular Spectroscopy
JF - Journal of Molecular Spectroscopy
IS - 2
ER -