Structure and Dynamics of 9(10H)-Acridone and Its Hydrated Clusters. II. Structural Characterization of Hydrogen-Bonding Networks

2000 ◽  
Vol 104 (38) ◽  
pp. 8649-8659 ◽  
Author(s):  
Masaaki Mitsui ◽  
Yasuhiro Ohshima ◽  
Shun-ichi Ishiuchi ◽  
Makoto Sakai ◽  
Masaaki Fujii
Keyword(s):  
Hydrogen Bonding ◽  
Structural Characterization ◽  
Structure And Dynamics ◽  
Hydrogen Bonding Networks ◽  
Hydrated Clusters

Synthesis and structural characterization of tube-type tetradecavanadates

2018 ◽  
Vol 74 (11) ◽  
pp. 1295-1299 ◽  
Author(s):  
Sho Kuwajima ◽  
Yuta Arai ◽  
Hiromasa Kitajima ◽  
Yuji Kikukawa ◽  
Yoshihito Hayashi
Keyword(s):  
Hydrogen Bonding ◽  
Dimethyl Sulfoxide ◽  
Ammonium Perchlorate ◽  
Structural Characterization ◽  
Equatorial Plane ◽  
Noncovalent Interactions ◽  
Rotation Axes ◽  
Hydrogen Bonding Interactions ◽  
Tube Type

By the reaction of ammonium perchlorate with anion-incorporated bowl-type dodecavanadates, viz. [V12O32(X)]5− [X = N3 − (1), OCN− and NO3 −], tube-type tetradecavanadates, viz. (NH4)7[V14O38(X)] [X = N3 − (2), OCN− (3) and NO3 − (4)] were synthesized. The crystal structures of penta(tetraethylammonium) azidododecavanadate nitromethane monosolvate, (C8H20N)5[V12O32(N3)]·CH3NO2, 1, heptaammonium azidotetradecavanadate dimethyl sulfoxide hexasolvate, (NH4)7[V14O38(N3)]·6C2H6OS, 2, heptaammonium cyanatotetradecavanadate dimethyl sulfoxide hexasolvate, (NH4)7[V14O38(OCN)]·6C2H6OS, 3, and heptaammonium nitratotetradecavanadate dimethyl sulfoxide hexasolvate, (NH4)7[V14O38(NO3)]·6C2H6OS, 4, were determined. The tube consists of two layers of V7 rings with a guest anion at the centre. The distances between the incorporated anions and the nearest V atoms are 3.058 (3), 3.039 (6) and 2.811 (9) Å for 2, 3 and 4, respectively, showing that the incorporated anions are stabilized via noncovalent interactions. Two ammonium cations cap both ends of the tube to stabilize the structures via hydrogen-bonding interactions. Linear OCN− and N3 − anions sit on the twofold rotation axes of the tube frameworks and the triangular plane of the NO3 − anion deviates from the equatorial plane of the tube by ca 30°.

Energetic Materials: The Preparation and Structural Characterization of Three Biguanidinium Dinitramides

1997 ◽  
Vol 53 (3) ◽  
pp. 504-512 ◽  
Author(s):  
A. Martin ◽  
A. A. Pinkerton ◽  
R. D. Gilardi ◽  
J. C. Bottaro
Keyword(s):  
Hydrogen Bonding ◽  
Structural Characterization ◽  
Diffraction Data ◽  
Energetic Materials ◽  
Room Temperature ◽  
Asymmetric Structure ◽  
X Ray Diffraction ◽  
X Ray ◽  
Bond Lengths

Three biguanidinium salts of the energetic dinitramide anion have been prepared and structurally characterized from room-temperature X-ray diffraction data. Biguanidinium mono-dinitramide, (BIGH)(DN), triclinic, P\overline 1, a = 4.3686 (4), b = 9.404 (2), c = 10.742 (1) Å, \alpha = 83.54 (1), \beta = 80.386 (9), \gamma = 79.93 (1)°, V = 426.8 (1) Å3, Z = 2, D x = 1.62 g cm−3. Biguanidinium bis-dinitramide, (BIGH2)(DN)2, monoclinic, C2/c, a = 11.892 (2), b = 8.131 (1), c = 13.038 (2) Å, \beta = 115.79 (1)°, V = 1135.1 (3) Å3, Z = 4, D x = 1.84 g cm−3. Biguanidinium bis-dinitramide monohydrate, (BIGH2)(DN)2.H2O, orthorhombic, P212121, a = 6.4201 (6), b = 13.408 (1), c = 14.584 (2) Å, V = 1255.4 (4) Å3, Z = 4, D x = 1.76 g cm−3. All three structures are characterized by extensive hydrogen bonding. Both the mono- and diprotontated cations consist of two planar halves twisted with respect to each other. The dinitramide anion has a surprisingly variable and asymmetric structure. The two halves of the anion are twisted with respect to each other; however, the twist varies from 5.1 to 28.9°. In addition, the two ends of the anion have significantly different geometries, e.g. the `equivalent' N—N bond lengths differ by up to 0.045 Å.

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