TY - JOUR
T1 - Conflicting Aromaticity in Trirhodium(I) Rosarin
AU - Xue, Songlin
AU - Tkachenko, Nikolay V.
AU - Wu, Fan
AU - Lv, Xiaojuan
AU - Liu, Ningchao
AU - Muñoz-Castro, Alvaro
AU - Ueno, So
AU - Matsuo, Kyohei
AU - Kuzuhara, Daiki
AU - Aratani, Naoki
AU - Shen, Zhen
AU - Yamada, Hiroko
AU - Boldyrev, Alexander I.
AU - Qiu, Fengxian
N1 - Publisher Copyright:
© 2024 American Chemical Society.
PY - 2024/6/17
Y1 - 2024/6/17
N2 - Aromaticity is one of the most important and widely used concepts in chemistry. Among the various experimentally discovered and theoretically predicted compounds that possess different types of aromaticity, conflicting aromaticity, where aromatic and antiaromatic electron delocalization is present in one molecule simultaneously, remains one of the most controversial and elusive concepts, although theoretically predicted 15 years ago. In this work, we synthesized a novel conflicting aromatic trirhodium complex that contains a σ-aromatic metal fragment surrounded by the π-antiaromatic organic ligand and characterized it by nuclear magnetic resonance spectroscopy, high-resolution mass spectrometry, and X-ray single crystal structure analysis. Experimental characterization and quantum chemical calculations confirm the unique conflicting aromaticity of the synthesized trirhodium molecule. Thus, this novel conflicting aromatic molecule expands the family of aromatic compounds. This discovery will enable researchers to develop and understand the phenomena of conflicting aromaticity in chemistry.
AB - Aromaticity is one of the most important and widely used concepts in chemistry. Among the various experimentally discovered and theoretically predicted compounds that possess different types of aromaticity, conflicting aromaticity, where aromatic and antiaromatic electron delocalization is present in one molecule simultaneously, remains one of the most controversial and elusive concepts, although theoretically predicted 15 years ago. In this work, we synthesized a novel conflicting aromatic trirhodium complex that contains a σ-aromatic metal fragment surrounded by the π-antiaromatic organic ligand and characterized it by nuclear magnetic resonance spectroscopy, high-resolution mass spectrometry, and X-ray single crystal structure analysis. Experimental characterization and quantum chemical calculations confirm the unique conflicting aromaticity of the synthesized trirhodium molecule. Thus, this novel conflicting aromatic molecule expands the family of aromatic compounds. This discovery will enable researchers to develop and understand the phenomena of conflicting aromaticity in chemistry.
UR - http://www.scopus.com/inward/record.url?scp=85195321382&partnerID=8YFLogxK
U2 - 10.1021/acs.inorgchem.4c01781
DO - 10.1021/acs.inorgchem.4c01781
M3 - Article
AN - SCOPUS:85195321382
SN - 0020-1669
VL - 63
SP - 11494
EP - 11500
JO - Inorganic Chemistry
JF - Inorganic Chemistry
IS - 24
ER -