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Dynamic model and tunneling splittings in LMH4 non-rigid hydrides

✍ Scribed by L.Ya. Baranov; A.I. Boldyrev


Publisher
Elsevier Science
Year
1983
Tongue
English
Weight
347 KB
Volume
96
Category
Article
ISSN
0009-2614

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✦ Synopsis


\ non-rrgid model for IIW molecules LiBI14. N.IB&. LCH; is w-vested on the bssis of ab initio data. The model is ;~a! ~1 rn~nwrrwl wlc:&tions of the levels of large-amplitude deformation-m&ration motion of the cation in these mole-LUIO II ic ~lwu II th.tt the lo\ cst stzttcs c.tn be regarded 3s highly anharmonic bending vibrations. while levels above the turrwr 4u1U be concidcred as hnderrd rotation of the MH.J group. Td symmetry is used lo classify the states. Tunneling qhrt~~~p 01 thr vlhr.11lon.d sidlec are 0.01 -1 cm-'.