Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
Pentacoordinated silver(I) complex featuring 8-phenylquinoline ligands : Interplay of coordination bonds, semicoordination, and stacking interactions. / Bolotin, Dmitrii S.; Soldatova, Natalia S.; Demakova, Marina Ya; Novikov, Alexander S.; Ivanov, Daniil M.; Aliyarova, Irina S.; Sapegin, Alexander; Krasavin, Mikhail.
в: Inorganica Chimica Acta, Том 504, 119453, 01.05.2020.Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
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TY - JOUR
T1 - Pentacoordinated silver(I) complex featuring 8-phenylquinoline ligands
T2 - Interplay of coordination bonds, semicoordination, and stacking interactions
AU - Bolotin, Dmitrii S.
AU - Soldatova, Natalia S.
AU - Demakova, Marina Ya
AU - Novikov, Alexander S.
AU - Ivanov, Daniil M.
AU - Aliyarova, Irina S.
AU - Sapegin, Alexander
AU - Krasavin, Mikhail
PY - 2020/5/1
Y1 - 2020/5/1
N2 - A rare example of pentacoordinated silver(I) complex featured unconventional type of coordination of 8-phenylquinoline has been prepared. DFT calculations indicated that the silver(I) center forms two strong coordination bonds with the N atoms (21.8–29.8 kcal/mol) and an electrostatically provided bond with the triflate anion (the charges at the silver(I) center and the triflate O atom are estimated as +0.64 and −1.02 e, respectively). The coordination polyhedron is complemented by two semicoordination bonds with the C atoms of the phenyl rings (4.3–6.0 kcal/mol). These silver(I)–phenyl π-interactions are significantly stronger than such interactions observed previously for other systems exhibiting energy lower than 2 kcal/mol.
AB - A rare example of pentacoordinated silver(I) complex featured unconventional type of coordination of 8-phenylquinoline has been prepared. DFT calculations indicated that the silver(I) center forms two strong coordination bonds with the N atoms (21.8–29.8 kcal/mol) and an electrostatically provided bond with the triflate anion (the charges at the silver(I) center and the triflate O atom are estimated as +0.64 and −1.02 e, respectively). The coordination polyhedron is complemented by two semicoordination bonds with the C atoms of the phenyl rings (4.3–6.0 kcal/mol). These silver(I)–phenyl π-interactions are significantly stronger than such interactions observed previously for other systems exhibiting energy lower than 2 kcal/mol.
KW - DFT calculations
KW - Semicoordination
KW - Silver(I)
KW - Weak interactions
KW - π-Complex
KW - RECOGNITION
KW - DONOR
KW - SUPRAMOLECULAR DESIGN
KW - PI INTERACTIONS
KW - X-RAY
KW - DIFFRACTION
KW - pi-Complex
KW - ENERGIES
UR - http://www.scopus.com/inward/record.url?scp=85078080355&partnerID=8YFLogxK
UR - https://www.sciencedirect.com/science/article/pii/S0020169319318250?dgcid=rss_sd_all&utm_source=researcher_app&utm_medium=referral&utm_campaign=RESR_MRKT_Researcher_inbound
UR - http://www.mendeley.com/catalogue/pentacoordinated-silveri-complex-featuring-8phenylquinoline-ligands-interplay-coordination-bonds-sem
U2 - 10.1016/j.ica.2020.119453
DO - 10.1016/j.ica.2020.119453
M3 - Article
AN - SCOPUS:85078080355
VL - 504
JO - Inorganica Chimica Acta
JF - Inorganica Chimica Acta
SN - 0020-1693
M1 - 119453
ER -
ID: 51282776