Literature DB >> 15742062

An unexpected bonding interaction between dxy and a1u orbitals mediated by porphyrin deformation.

Ru-Jen Cheng1, Yen-Ku Wang, Ping-Yu Chen, Ya-Ping Han, Chih-Ching Chang.   

Abstract

Through density functional calculation and NMR spectroscopy, an unusual intermediate-spin electronic structure (d(xz)d(yz))3(d(xy))1(d(z)2)1 has been assigned to the six-coordinate saddled [Fe(OETPP)(THF)2]+ complex instead of the corresponding ruffled [Fe(TiPrP)(THF)2]+ complex.

Entities:  

Year:  2005        PMID: 15742062     DOI: 10.1039/b416023c

Source DB:  PubMed          Journal:  Chem Commun (Camb)        ISSN: 1359-7345            Impact factor:   6.222


  1 in total

1.  Mössbauer, NMR, geometric, and electronic properties in S = 3/2 iron porphyrins.

Authors:  Yan Ling; Yong Zhang
Journal:  J Am Chem Soc       Date:  2009-05-13       Impact factor: 15.419

  1 in total

北京卡尤迪生物科技股份有限公司 © 2022-2023.