Solute-Solvent Hydrogen Bond Formation in the Excited State. Experimental and Theoretical Evidence

Intra- vs. intermolecular hydrogen-bond formation and ESIPT in a bioactive flavonoid result in different emission properties and provide a clue for recognizing its binding to target proteins.

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Equilibrium of Hydrogen-Bond Formation in the Excited State

Nature ◽

10.1038/175731b0 ◽

1955 ◽

Vol 175 (4460) ◽

pp. 731-732 ◽

Cited By ~ 27

Author(s):

NOBORU MATAGA ◽

YOZO KAIBE ◽

MASAO KOIZUMI

Keyword(s):

Hydrogen Bond ◽

Excited State ◽

Bond Formation ◽

Hydrogen Bond Formation

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

Journal of Materials Chemistry C ◽

10.1039/d0tc04280c ◽

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.

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

Journal of the American Chemical Society ◽

10.1021/ja00366a044 ◽

1982 ◽

Vol 104 (2) ◽

pp. 619-621 ◽

Cited By ~ 31

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

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

Canadian Journal of Chemistry ◽

10.1139/v10-048 ◽

2010 ◽

Vol 88 (8) ◽

pp. 849-857 ◽

Cited By ~ 2

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.

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