Diversity of excited state deactivation paths in heteroazaaromatics with multiple intermolecular hydrogen bonds

1998 ◽  
Vol 102 (3) ◽  
pp. 469-475 ◽  
Author(s):  
Jacek Dobkowski ◽  
Jerzy Herbich ◽  
Victor Galievsky ◽  
Randolph P. Thummel ◽  
Feiyue Wu ◽  
...  
Keyword(s):  
Excited State ◽  
Hydrogen Bonds ◽  
Intermolecular Hydrogen Bonds

Ultrafast excited state decay of natural UV filters: from intermolecular hydrogen bonds to a conical intersection

2018 ◽  
Vol 20 (22) ◽  
pp. 15074-15085 ◽  
Author(s):  
Peter S. Sherin ◽  
Yuri P. Tsentalovich ◽  
Eric Vauthey ◽  
Enrico Benassi
Keyword(s):  
Excited State ◽  
Hydrogen Bonds ◽  
Excited States ◽  
Conical Intersection ◽  
Side Chain ◽  
Uv Filters ◽  
Intermolecular Hydrogen Bonds ◽  
Unsaturated Bond ◽  
State Decay ◽  
Solvent Properties

An unsaturated bond in the side chain leads to the ultrafast decay of the excited statesviaa conical intersection independent of solvent properties.

A Crystallographic Study of Bis[S-benzyl-5-bromo-2-oxoindolin-3-ylidenemethanehydrazonthioate] Disulfide Solvated with Dimethylsulfoxide

2012 ◽  
Vol 9 (2) ◽  
pp. 87
Author(s):  
Mohd Abdul Fatah Abdul Manan ◽  
M. Ibrahim M. Tahir ◽  
Karen A. Crouse ◽  
Fiona N.-F. How ◽  
David J. Watkin
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Solvent Molecule ◽  
Site Occupancy ◽  
Unit Cell Parameters ◽  
Intermolecular Hydrogen Bonds ◽  
Triclinic Space Group ◽  
Cell Parameters ◽  
Crystallographic Study ◽  
Thiol Form

The crystal structure of the title compound has been determined. The compound crystallized in the triclinic space group P -1, Z = 2, V = 1839 .42( 18) A3 and unit cell parameters a= 11. 0460( 6) A, b = 13 .3180(7) A, c=13. 7321 (8) A, a = 80.659(3 )0, b = 69 .800(3 )0 and g = 77 .007 (2)0 with one disordered dimethylsulfoxide solvent molecule with the sulfur and oxygen atoms are distributed over two sites; S101/S102 [site occupancy factors: 0.6035/0.3965] and 0130/0131 [site occupancy factor 0.3965/0.6035]. The C22-S2 l and C 19-S20 bond distances of 1. 779(7) A and 1. 788(8) A indicate that both of the molecules are connected by the disulfide bond [S20-S21 2.055(2) A] in its thiol form. The crystal structure reveals that both of the 5-bromoisatin moieties are trans with respect to the [S21-S20 and CI 9-Nl 8] and [S20-S21 and C22-N23] bonds whereas the benzyl group from the dithiocarbazate are in the cis configuration with respect to [S21-S20 and C19-S44] and [S20-S21 and C22-S36] bonds. The crystal structure is further stabilized by intermolecular hydrogen bonds of N9-H35···O16 formed between the two molecules and N28-H281 ···O130, N28-H281 ···O131 and C4 l-H4 l l ···O 131 with the solvent molecule.

scholarly journals Organotin(IV) selenate derivatives – Crystal structure of [{(Ph3Sn)2SeO4} ⋅ CH3OH] n

2021 ◽  
Vol 44 (1) ◽  
pp. 213-217
Author(s):  
Waly Diallo ◽  
Hélène Cattey ◽  
Laurent Plasseraud
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
Hydrogen Bonds ◽  
Point Of View ◽  
Intermolecular Hydrogen Bonds

Abstract Crystallization of [(Ph3Sn)2SeO4] ⋅ 1.5H2O in methanol leads to the formation of [{(Ph3Sn)2SeO4} ⋅ CH3OH] n (1) which constitutes a new specimen of organotin(IV) selenate derivatives. In the solid state, complex 1 is arranged in polymeric zig-zag chains, composed of alternating Ph3Sn and SeO4 groups. In addition, pendant Ph3Sn ⋅ CH3OH moieties are branched along chains according to a syndiotactic organization and via Sn-O-Se connections. From a supramolecular point of view, intermolecular hydrogen bonds established between the selenate groups (uncoordinated oxygen) and the hydroxyl functions (CH3OH) of the pendant groups link the chains together.

scholarly journals Two enantiomeric perovskite ferroelectrics with a high Tc raised by inserting intermolecular hydrogen bonds

APL Materials ◽  
2021 ◽  
Vol 9 (3) ◽  
pp. 031102
Author(s):  
Hui Ye ◽  
Wang-Hua Hu ◽  
Wei-Jian Xu ◽  
Ying Zeng ◽  
Xiao-Xian Chen ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Intermolecular Hydrogen Bonds ◽  
High Tc

scholarly journals Tetrahydroberberine, a pharmacologically active naturally occurring alkaloid

2015 ◽  
Vol 71 (4) ◽  
pp. 262-265 ◽  
Author(s):  
Subramanya Pingali ◽  
James P. Donahue ◽  
Florastina Payton-Stewart
Keyword(s):  
Hydrogen Bonds ◽  
Crystal Packing ◽  
Racemic Mixture ◽  
Inversion Center ◽  
Intermolecular Hydrogen Bonds ◽  
Naturally Occurring ◽  
Pharmacologically Active

Tetrahydroberberine (systematic name: 9,10-dimethoxy-5,8,13,13a-tetrahydro-6H-benzo[g][1,3]benzodioxolo[5,6-a]quinolizine), C20H21NO4, a widely distributed naturally occurring alkaloid, has been crystallized as a racemic mixture about an inversion center. A bent conformation of the molecule is observed, with an angle of 24.72 (5)° between the arene rings at the two ends of the reduced quinolizinium core. The intermolecular hydrogen bonds that play an apparent role in crystal packing are 1,3-benzodioxole –CH2...OCH3and –OCH3...OCH3interactions between neighboring molecules.

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