caa a22 4500 469071990 CHVBK 20180323132924.0 cr unu---uuuuu 170328e19920201xx s 000 0 eng 10.1007/BF00671978 doi (NATIONALLICENCE)springer-10.1007/BF00671978 Simmons Charles Mathematics, Science, and Technology Division, Brigham Young University-Hawaii Campus, 96762-1294, Laie, Hawaii, USA aut An investigation of the adiabatic potential energy surface of a Pseudo-Jahn-Teller complex using X-ray diffraction [Elektronische Daten] [Charles Simmons] X-ray diffraction combined with theoretical results obtained for isolated molecules can reveal many topologic features of the adiabatic potential energy surface (APS) of pseudo-Jahn-Teller Cu(II) complexes. Single-crystal x-ray results of acetatobis (1,10-phenanthroline)copper(II) perchlorate from 10 to 351 K are presented. The observed Cu-O bond length changes of 0.26 and 0.38 Å are rationalized in terms of a one-dimensional APS with two nonequivalent minima. The Silver and Getz model of vibronic coupling applied to the temperature variation of the Cu-O bond lengths is not obeyed. The actual structures of the conformers associated with the energy minima were determined from the x-ray data. A means of estimating the pseudo-Jahn-Teller radius using mean-square vibrational amplitudes along the Cu-O bonds is also discussed. Plenum Publishing Corporation, 1992 Structural Chemistry Kluwer Academic Publishers 3/1(1992-02-01), 37-52 1040-0400 3:1<37 1992 3 11224 https://doi.org/10.1007/BF00671978 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1007/BF00671978 text/html Onlinezugriff via DOI NATIONALLICENCE 100 1- Simmons Charles Mathematics, Science, and Technology Division, Brigham Young University-Hawaii Campus, 96762-1294, Laie, Hawaii, USA aut NATIONALLICENCE 773 0- Structural Chemistry Kluwer Academic Publishers 3/1(1992-02-01), 37-52 1040-0400 3:1<37 1992 3 11224 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer