Research output: Contribution to journal › Article › peer-review
Interactions Between Building Blocks of the Zn2(BDC)2DABCO Metal-Organic Framework. / Ryzhikov, M. R.; Kozlova, S. G.
In: Journal of Structural Chemistry, Vol. 61, No. 2, 01.02.2020, p. 161-165.Research output: Contribution to journal › Article › peer-review
}
TY - JOUR
T1 - Interactions Between Building Blocks of the Zn2(BDC)2DABCO Metal-Organic Framework
AU - Ryzhikov, M. R.
AU - Kozlova, S. G.
PY - 2020/2/1
Y1 - 2020/2/1
N2 - It is shown by the methods of quantum chemistry that Zn2(BDC)2DABCO crystals are formed due to covalent and dispersion interactions between two-dimensional Zn2(BDC)2 layers and DABCO molecules. The crystals contain chiral pseudo one-dimensional chains composed only of left-twisted or right-twisted DABCO molecules and {Zn2(O2C)4} fragments arranged parallel to the vector c of the Zn2(BDC)2DABCO crystal.
AB - It is shown by the methods of quantum chemistry that Zn2(BDC)2DABCO crystals are formed due to covalent and dispersion interactions between two-dimensional Zn2(BDC)2 layers and DABCO molecules. The crystals contain chiral pseudo one-dimensional chains composed only of left-twisted or right-twisted DABCO molecules and {Zn2(O2C)4} fragments arranged parallel to the vector c of the Zn2(BDC)2DABCO crystal.
KW - chirality
KW - density functional theory
KW - intermolecular interactions
KW - periodic calculations
KW - Zn(BDC)DABCO
UR - http://www.scopus.com/inward/record.url?scp=85087989677&partnerID=8YFLogxK
U2 - 10.1134/S0022476620020018
DO - 10.1134/S0022476620020018
M3 - Article
AN - SCOPUS:85087989677
VL - 61
SP - 161
EP - 165
JO - Journal of Structural Chemistry
JF - Journal of Structural Chemistry
SN - 0022-4766
IS - 2
ER -
ID: 24783651