Based on a urethane model molecule 1,3-dimethylcarbamate, which can be donor or acceptor and behaves in various conformations, it is reasonable to have a large number of H-bond interactions between various conformational donors and acceptors. For examining all the possible interaction patterns, we ...
网络释义 1. 氢键供体-受体 康昱盛信息... ... Molecular Surface Area( 分子表面积) H-bond Donor-Acceptor( 氢键供体-受体) Huckel Analysis( 休克 …www.cloudscientific.com|基于2个网页© 2024 Microsoft 隐私声明和 Cookie 法律声明 广告 帮助 反馈...
The atomic distance between the H-bond donor (HBD) and the H-bond acceptor (HBA), i.e., H-bond distance, was used to predict the presence of H-bonds because H-bonds produce interatomic distances of H and O shorter than the sum of van der Waals radii (2.5 Å). The structural...
ofHbonds.Manyoftheseinteractionsinvolveasingledonorand acceptorpair,suchastheregularH-bondingpatternbetween carbonyloxygensandamideH + sfourresiduesapartinα-helices. TheH-bondingpotentialofsomeacceptors,however,leadstothe phenomenonofovercoordinationbetweentwodonorsandone ...
[39] X. Li, Q. Zheng, X. Wang, Q. Zheng, Y. Zhang, Y. Cong, S. Lv, Introduction of electron-deficient unit in resorcinol-formaldehyde resin to construct donor–acceptor conjugated polymer for enhancing photocatalytic H₂O₂ production, J. Mater. Chem. A 12 (2024) 8420–8428. ...
The calculated bond strength for the yet unknown donoracceptor complex Me3NBeO is significantly higher than the strongest experimentally known maingroup donoracceptor complex Me3NA1C13 (Do = 475 kcal mo1-1). Even the weak donor H2 is bonded with De = 185 kcal mo1-1. The compounds O2BeO ...
Hydrogen Bond Donor Count:2 Hydrogen Bond Acceptor Count:3 Topological Polar Surface Area:52.3 Heavy Atom Count::13 Defined Atom Stereocenter Count:1 Undefined Atom Stereocenter Count:0 Defined Bond Stereocenter Count:0 Undefined Bond Stereocenter Count:0 Isotope Atom Count:0 Covalently-Bonded Unit...
XLogP 6.2 H-Bond Donor 1 H-Bond Acceptor 3 Rotatable Bond Count 4 Tautomer Count 2 Exact Mass 341.152812 MonoIsotopic Mass 341.152812 Topological Polar Surface Area 46.4 Heavy Atom Count 26 Formal Charge 0 Complexity 514 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom Stereo...
Hydrogen bonding interaction between the ROH hydrogen bond donor and sulfur atom as an acceptor has not been as well characterized as the O-H···O interaction. The strength of O-H···O interactions for a given donor has been well documented to scale linearly with the proton affinity (PA...
A truly simple HBD and Lewis base (LB) cocatalysis, however, was elusive. We proposed genuine HBD/LB cocatalyst for ROPs by introducing 3-amino-1,2,4-benzothiadiazine-1,1-dioxide (ABTD) as a bidentate H-bond donor and triethylamine (TEA) as a mild Lewis base. ROPs of lactide (LA...