Synthesis, properties and reactivity of intramolecular hypercoordinate silicon complexes

AA Nikolin, VV Negrebetsky - Russian Chemical Reviews, 2014 - iopscience.iop.org
The state of the art of the chemistry of hypercoordinate silicon compounds is analyzed.
Published data on the current top-priority approaches to the preparative synthesis of these …

Experimental charge density study of a silylone

B Niepötter, R Herbst‐Irmer, D Kratzert… - Angewandte Chemie …, 2014 - Wiley Online Library
An experimental and theoretical charge density study confirms the interpretation of (cAAC)
2Si as a silylone to be valid. Two separated VSCCs present in the non‐bonding region of …

Advancement in use of silicon pthalocyanine derivatives for cancer treatment

P Saha, S Das, HK Indurthi, DK Sharma - Dyes and Pigments, 2022 - Elsevier
Silicon pthalocyanines (SiPcs), a class of macrocylic fused ring with 18 π-electrons system,
are emerging as a wonder class of compounds in anti-cancer treatment due to their role as …

Study on electronic structure and excitation characteristics of cyclo [18] carbon

B Shi, L Yuan, T Tang, Y Yuan, Y Tang - Chemical Physics Letters, 2020 - Elsevier
The ωB97XD/def-TZVP method based on DFT was used to optimize the structure of C 18.
Then based on the TD-DFT ωB97XD/aug-cc-PVTZ method, the first 50 excited states were …

Computational evaluation on molecular stability and binding affinity of methyldopa against Lysine-specific demethylase 4D Enzyme through quantum chemical …

T Chaudhary, T Karthick, MK Chaudhary… - Journal of Molecular …, 2023 - Elsevier
For the complete characterization of the molecule, quantum chemical calculations utilizing
density functional theory (DFT) were performed at the B3LYP/6–311++ G (d, p) level of …

SMART design of a bulk‐capped supramolecular segment for the assembly into organic interdigital lipid bilayer‐like (ILB) nanosheets

YX Li, SS Wang, Y Yu, H Zhang, WY Wang, RQ Yang… - Small, 2018 - Wiley Online Library
Rational molecular design for the organic nanocrystal morphology still remains a challenge
due to the structural diversity and complicated weak intermolecular interactions. In this work …

An experimental charge density study of two isomers of hexasilabenzene

D Kratzert, D Leusser, JJ Holstein… - Angewandte Chemie …, 2013 - Wiley Online Library
The similarities and differences between carbon and its heavier congener silicon generate
challenging synthetic targets, especially when multiply bonded systems are concerned. The …

Ferrocene/fullerene hybrids showing large second-order nonlinear optical activities: impact of the cage unit size

WY Wang, L Wang, NN Ma, CL Zhu, YQ Qiu - Dalton Transactions, 2015 - pubs.rsc.org
The electron donor–acceptor complexes, which undergo intramolecular charge transfer
under external stimulus, are an emerging class of materials showing important application in …

From (sub) porphyrins to (sub) phthalocyanines: aromaticity signatures in the UV–vis absorption spectra

S Escayola, J Labella, DW Szczepanik… - Inorganic …, 2024 - ACS Publications
The development of novel synthetic methods has greatly expanded the toolbox available to
chemists for engineering porphyrin and phthalocyanine derivatives with precise electronic …

Experimentelle Elektronendichteuntersuchung eines Silylons

B Niepötter, R Herbst‐Irmer, D Kratzert… - Angewandte …, 2014 - Wiley Online Library
Untersuchungen der experimentell sowie theoretisch bestimmten Elektronendichte zeigen,
dass die Interpretation der Bindungssituation des (cAAC) 2Si als die eines Silylones korrekt …