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Rich variety in the ground states of [Pd(dmit) 2 ] 2 salts, and the methodology for analysing intra‐dimer interactions, inter‐dimer interactions and MO levels
Author(s) -
Yamamoto Takashi,
Nakazawa Yasuhiro,
Tamura Masafumi,
Yakushi Kyuya,
Kato Reizo
Publication year - 2012
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.201100685
Subject(s) - dimer , lattice (music) , chemistry , ground state , spectroscopy , computational chemistry , chemical physics , crystallography , physics , atomic physics , quantum mechanics , organic chemistry , acoustics
A group of [Pd(dmit) 2 ] 2 salts, whose two‐dimensional structures take (pesudo‐) triangular lattice, has a diversity in the ground states. In order to investigate the ground states, we have developed the methodology for analysing subtle changes in the inter‐molecular interactions and MO level using the vibrational and electronic spectroscopy. This methodology is applied to several [Pd(dmit) 2 ] 2 salts. We have found some relationships between the ground states and the inter‐dimer and intra‐dimer interactions under HOMO–LUMO inversion.