TY - JOUR
T1 - Inorganic double-helix nanotoroid of simple lithium-phosphorus species
AU - Ivanov, Alexander S.
AU - Boldyrev, Alexander I.
AU - Frenking, Gernot
PY - 2014/2/24
Y1 - 2014/2/24
N2 - A theoretical study of Li90P90, which possesses a circular double-helix structure that resembles the Watson-Crick DNA structure, is reported. This is a new bonding motif in inorganic chemistry. The calculations show that the molecule might become synthesized and that it could be a model for other inorganic species which possess a double-helix structure. Running rings: Theoretical prediction of the existence of inorganic double-helical toroid-like structures at the atomic level is reported. The geometry, electronic, and structural properties of an unusually simple circular double helix made of 90 phosphorus and 90 lithium atoms were studied using ab initio calculations. The shape of this cluster is very similar to nature's circular DNA (see graphic).
AB - A theoretical study of Li90P90, which possesses a circular double-helix structure that resembles the Watson-Crick DNA structure, is reported. This is a new bonding motif in inorganic chemistry. The calculations show that the molecule might become synthesized and that it could be a model for other inorganic species which possess a double-helix structure. Running rings: Theoretical prediction of the existence of inorganic double-helical toroid-like structures at the atomic level is reported. The geometry, electronic, and structural properties of an unusually simple circular double helix made of 90 phosphorus and 90 lithium atoms were studied using ab initio calculations. The shape of this cluster is very similar to nature's circular DNA (see graphic).
KW - ab initio calculations
KW - clusters
KW - double-helical toroid
KW - lithium
KW - phosphorus
UR - http://www.scopus.com/inward/record.url?scp=84897672600&partnerID=8YFLogxK
U2 - 10.1002/chem.201304566
DO - 10.1002/chem.201304566
M3 - Article
C2 - 24488764
AN - SCOPUS:84897672600
SN - 0947-6539
VL - 20
SP - 2431
EP - 2435
JO - Chemistry - A European Journal
JF - Chemistry - A European Journal
IS - 9
ER -