Premium
Cover Image, Volume 118, Issue 22
Publication year - 2018
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Reports
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.25830
Subject(s) - cover (algebra) , scandium , valence (chemistry) , citation , electrophile , nucleophile , computer science , chemistry , library science , engineering , organic chemistry , mechanical engineering , catalysis
The recently synthesized first scandium phosphinoalkylidene complex has attracted extensive attention for its high chemical activity around the unusually short Sc‐C bond. In the article e25691 by Deng Shuiguan and colleagues, first‐principles calculations are used to investigate the structure, electronic and chemical bonding properties of such complexes. Calculated valence Bader charges highlight the C atom taking part to the Sc‐C bond as an active nucleophilic site, while the Sc center is shown to be an electrophilic site. (DOI: 10.1002/qua.25691 )