scholarly journals Nuclear quantum effects on the hydrogen bond donor–acceptor exchange in water–water and water–methanol dimers

2020 ◽  
Vol 153 (5) ◽  
pp. 054302
Author(s):  
Emilio Méndez ◽  
Daniel Laria
2013 ◽  
Vol 117 (39) ◽  
pp. 19991-20001 ◽  
Author(s):  
Julia Wack ◽  
Renée Siegel ◽  
Tim Ahnfeldt ◽  
Norbert Stock ◽  
Luís Mafra ◽  
...  

2012 ◽  
Vol 68 (10) ◽  
pp. m291-m294
Author(s):  
Andrey B. Lysenko

5-[4-(1,2,4-Triazol-4-yl)phenyl]-1H-tetrazole, C9H7N7, (I), an asymmetric heterobifunctional organic ligand containing triazole (tr) and tetrazole (tz) termini linked directly through a 1,4-phenylene spacer, crystallizes in the polar space groupPc. The heterocyclic functions, serving as single hydrogen-bond donor (tz) or acceptor (tr) units, afford hydrogen-bonded zigzag chains with no crystallographic centre of inversion. In the structure ofcatena-poly[[diaquacadmium(II)]bis{μ2-5-[4-(1,2,4-triazol-4-yl)phenyl]tetrazol-1-ido-κ2N1:N1′}], [Cd(C9H6N7)2(H2O)2]n, (II), the CdIIdication resides on a centre of inversion in an octahedral {N4O2} environment. In the equatorial plane, the CdIIpolyhedron is built up from four N atoms of two kinds, namely oftrans-coordinating tr and tz fragments [Cd—N = 2.2926 (17) and 2.3603 (18) Å], and the coordinating aqua ligands occupy the two apical sites. The metal centres are separated at a distance of 11.1006 (7) Å by means of the double-bridging tetrazolate anion,L−, forming a chain structure. The water ligands and tz fragments interact with one another, like a double hydrogen-bond donor–acceptor synthon, leading to a hydrogen-bonded three-dimensional array.


2005 ◽  
Vol 44 (10) ◽  
pp. 3380-3382 ◽  
Author(s):  
Stéphane A. Baudron ◽  
Narcis Avarvari ◽  
Patrick Batail

2007 ◽  
Vol 112 (Supplement) ◽  
pp. S-105-S-120 ◽  
Author(s):  
M. Kijak ◽  
I. Petkova ◽  
M. Toczek ◽  
G. Wiosna-Sałyga ◽  
A. Zielińska ◽  
...  

2019 ◽  
Vol 131 (12) ◽  
pp. 3974-3978 ◽  
Author(s):  
Chun‐Lin Deng ◽  
Jeremy P. Bard ◽  
Jessica A. Lohrman ◽  
Joshua E. Barker ◽  
Lev N. Zakharov ◽  
...  

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