scholarly journals Stereoselective formation and catalytic activity of hydrido(acylphosphane)(chlorido)(pyrazole)rhodium(iii) complexes. Experimental and DFT studies

2015 ◽  
Vol 44 (29) ◽  
pp. 13141-13155 ◽  
Author(s):  
Virginia San Nacianceno ◽  
Susan Azpeitia ◽  
Lourdes Ibarlucea ◽  
Claudio Mendicute-Fierro ◽  
Antonio Rodríguez-Diéguez ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Catalytic Activity ◽  
Dft Calculations ◽  
Steric Hindrance ◽  
Bond Formation ◽  
Dft Studies ◽  
Hydrogen Bond Formation

Stereoselectivity assisted by hydrogen bond formation, inhibited by steric hindrance, predicted by DFT calculations.

Vapochromism induced by intermolecular electron transfer coupled with hydrogen-bond formation in zinc dithiolene complex

2020 ◽  
Vol 8 (42) ◽  
pp. 14939-14947
Author(s):  
So Yokomori ◽  
Shun Dekura ◽  
Tomoko Fujino ◽  
Mitsuaki Kawamura ◽  
Taisuke Ozaki ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Electron Transfer ◽  
Bond Formation ◽  
Intermolecular Electron Transfer ◽  
Hydrogen Bond Formation ◽  
Complex Crystal

A novel vapochromic mechanism by intermolecular electron transfer coupled with hydrogen-bond formation was realized in a zinc dithiolene complex crystal.

Diverse mechanisms of carbon-hydrogen bond formation through binuclear reductive elimination reactions

1982 ◽  
Vol 104 (2) ◽  
pp. 619-621 ◽  
Author(s):  
Mario J. Nappa ◽  
Roberto Santi ◽  
Steven P. Diefenbach ◽  
Jack Halpern
Keyword(s):  
Hydrogen Bond ◽  
Bond Formation ◽  
Reductive Elimination ◽  
Hydrogen Bond Formation ◽  
Elimination Reactions

Theoretical analysis of the (HNO)2, (HNO···HNS), and (HNS)2 dimers — A case of red and blue shifts of N–H stretching frequency

2010 ◽  
Vol 88 (8) ◽  
pp. 849-857 ◽  
Author(s):  
Nguyen Tien Trung ◽  
Tran Thanh Hue ◽  
Minh Tho Nguyen
Keyword(s):  
Hydrogen Bond ◽  
Quantum Chemical ◽  
Bond Formation ◽  
Blue Shift ◽  
Proton Donor ◽  
Basis Sets ◽  
Coupled Cluster ◽  
Hydrogen Bond Formation ◽  
Length Contraction ◽  
Moller Plesset

The hydrogen-bonded interactions in the simple (HNZ)2 dimers, with Z = O and S, were investigated using quantum chemical calculations with the second-order Møller–Plesset perturbation (MP2), coupled-cluster with single, double (CCSD), and triple excitations (CCSD(T)) methods in conjunction with the 6-311++G(2d,2p), aug-cc-pVDZ, and aug-cc-pVTZ basis sets. Six-membered cyclic structures were found to be stable complexes for the dimers (HNO)2, (HNS)2, and (HNO–HNS). The pair (HNS)2 has the largest complexation energy (–11 kJ/mol), and (HNO)2 the smallest one (–9 kJ/mol). A bond length contraction and a frequency blue shift of the N–H bond simultaneously occur upon hydrogen bond formation of the N–H···S type, which has rarely been observed before. The stronger the intramolecular hyperconjugation and the lower the polarization of the X–H bond involved as proton donor in the hydrogen bond, the more predominant is the formation of a blue-shifting hydrogen bond.

Internal Hydrogen Bond Formation in a syn-Hydroxyepoxide

Science ◽  
1982 ◽  
Vol 215 (4533) ◽  
pp. 695-696 ◽  
Author(s):  
J. P. GLUSKER ◽  
D. E. ZACHARIAS ◽  
D. L. WHALEN ◽  
S. FRIEDMAN ◽  
T. M. POHL
Keyword(s):  
Hydrogen Bond ◽  
Bond Formation ◽  
Hydrogen Bond Formation ◽  
Internal Hydrogen ◽  
Internal Hydrogen Bond

Influence of Hydrogen Bond Formation on the Photophysics ofN-(2,6-Dimethylphenyl)-2,3-naphthalimide

2004 ◽  
Vol 108 (19) ◽  
pp. 4357-4364 ◽  
Author(s):  
Attila Demeter ◽  
László Ravasz ◽  
Tibor Bérces
Keyword(s):  
Hydrogen Bond ◽  
Bond Formation ◽  
Hydrogen Bond Formation

Ruthenium-catalyzed Asymmetric Dehydrative Allylic Cyclization of Chalcogen 5-Membered Heteroaromatics

Synthesis ◽  
2021 ◽  
Author(s):  
Shinji Tanaka ◽  
Shoutaro Iwase ◽  
Sena Kanda ◽  
Marie Kato ◽  
Yutaro Kiriyama ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Bond Formation ◽  
Selection Method ◽  
Allylic Alcohol ◽  
Hydrogen Bond Formation ◽  
Pyridine Carboxylic Acid ◽  
Bicyclic Compounds ◽  
Allyl Complex ◽  
Pyridine Carboxylic ◽  
High Yields

The asymmetric dehydrative intramolecular allylation reactions of furan and thiophene were performed using a cationic cyclopentadienyl-ruthenium (CpRu) complex of a chiral pyridine carboxylic acid, namely Cl-Naph-PyCOOH. Both furan and thiophene tethered with an allylic alcohol gave the corresponding bicyclic compounds in high yields and enantioselectivities using 0.1–5 mol% of catalyst. The reaction was found to proceed via a similar enantioface selection method mechanism to that previously reported by our group, which involved halogen and hydrogen bond formation, in addition to the generation of an intermediate σ-allyl complex.

The Electrostatic Potential at Atomic Sites as a Reactivity Index in the Hydrogen Bond Formation

ChemInform ◽  
2003 ◽  
Vol 34 (47) ◽  
Author(s):  
B. Galabov ◽  
P. Bobadova-Parvanova ◽  
S. Ilieva ◽  
V. Dimitrova
Keyword(s):  
Hydrogen Bond ◽  
Electrostatic Potential ◽  
Bond Formation ◽  
Reactivity Index ◽  
Hydrogen Bond Formation
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