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Cover Picture: Exploring the Potential Energy Surface of E 2 P 4 Clusters (E=Group 13 Element): The Quest for Inverse Carbon‐Free Sandwiches (Chem. Eur. J. 16/2014)
Author(s) -
Castro Abril C.,
Osorio Edison,
Cabellos José Luis,
Cerpa Erick,
Matito Eduard,
Solà Miquel,
Swart Marcel,
Merino Gabriel
Publication year - 2014
Publication title -
chemistry – a european journal
Language(s) - English
Resource type - Reports
SCImago Journal Rank - 1.687
H-Index - 242
eISSN - 1521-3765
pISSN - 0947-6539
DOI - 10.1002/chem.201490062
Subject(s) - heteronuclear molecule , main group element , chemistry , group (periodic table) , crystallography , density functional theory , carbon fibers , molecule , ring (chemistry) , inverse , stereochemistry , computational chemistry , materials science , transition metal , geometry , organic chemistry , mathematics , composite number , composite material , catalysis
A viable alternative sandwich structure is presented, which does not contain any carbon atom. This D 4 h ‐symmetric inverse sandwich instead uses the “carbon‐like” phosphorus, which together with heavier elements of Group 13 (E = Al–Tl) forms a stable molecule. Density functional theory computations indicate that the sandwich form is more stable than a D 2 d isomer of two perpendicular EP 2 units (except for E=B), and should be formed exothermically from white phosphorus and E 2 . For more details, see the Full Paper by M. Swart, G. Merino et al. on page 4583 ff.