title: An unexpected bonding interaction between d(xy) and axial cyanide mediated by porphyrin deformation.
abstract: Through density functional calculation and NMR spectroscopy, an unexpected bonding interaction between d(xy) and axial cyanides is revealed to account for the lower shielding of axial cyanide of ruffled [Fe(TRP)(CN)(2)](-) complexes with the contribution of the unusual low-spin electronic structure (d(xz)d(yz))(4)(d(xy))(1).
authors.affiliation: Department of Chemistry, National Chung-Hsing University, Taichung, Taiwan, Republic of China. rjcheng@mail.nchu.edu.tw
authors.forename: Ru-Jen
authors.initials: RJ
authors.lastname: Cheng
authors.forename: Chang-Hung
authors.initials: CH
authors.lastname: Lee
authors.forename: Chia-Wei
authors.initials: CW
authors.lastname: Chao