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A new approach to electron diffraction analysis of symmetric triatomic molecules with large-amplitude bending motion: The equilibrium geometry, force field and vibrational frequencies of BaI2 as determined by electron diffraction

✍ Scribed by V.P. Spiridonov; A.G. Gershikov; A.B. Altman; G.V. Romanov; A.A. Ivanov

Publisher: Elsevier Science
Year: 1981
Tongue: English
Weight: 476 KB
Volume: 77
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(81)85595-9

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✦ Synopsis

Ddfractmn data on Baize analyzed by a new approach, mdlcate an anhz.rmomc otentlal wth il barrier of 71(12) cm-* at a hnear geometry The structural and vlbratlonal parameters were found to be &No) = 3 150(7)A,~&k~I= 148.0(9)a, .f, = 0 69 (8) mdyn/A, &, = 0 14(6) mdyn/A, k~ = -0 0075(15) mdyn/A, kg = 0 00X5(9) mdyn/A3, v1 = 106(12) cm-l and u3 = 145(213 cm-' The bendmg frequency "2 IS predxted to be near 16 cm-'

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A new approach to electron diffraction a

A new approach to electron diffraction analysis of symmetric triatomic molecules with large-amplitude bending motion. Dynamical model and intensity of scattering

✍ V.P. Spiridonov; A.G. Gershikov 📂 Article 📅 1981 🏛 Elsevier Science 🌐 English ⚖ 491 KB

A dynamIca: model IS developed appropnate for symmetric tnatomlc molecules with large-amphtude bendmg motion The total hamdtoruan IS separated mto rotation-bendmg and stretching parts The bendmg potent& LS approximated by a quartw-harmonic functmn. In the denvatmn of the mten=\*+\_J equntlon a curvl