Structure of dibromoticonine, a bromination product of nicotine

1973 ◽  
pp. 2046 ◽  
Author(s):  
Herbert McKennis ◽  
Edward R. Bowman ◽  
Louis D. Quin ◽  
Ronald C. Denney
Keyword(s):  
Bromination Product

Structure of the bromination product of 2-ethyl-1,4-benzothiazin-3(4H)-one

1982 ◽  
Vol 19 (4) ◽  
pp. 927-928 ◽  
Author(s):  
Robert B. Bates ◽  
Laurent M. Duguay ◽  
Robert E. Klenck ◽  
George R. Kriek ◽  
Michael S. Tempesta ◽  
...  
Keyword(s):  
Bromination Product

ChemInform Abstract: STRUCTURE OF DIBROMOLICONINE, A BROMINATION PRODUCT OF NICOTINE

1974 ◽  
Vol 5 (1) ◽  
pp. no-no
Author(s):  
HERBERT JUN. MCKENNIS ◽  
EDWARD R. BOWMAN ◽  
LOUIS D. QUIN ◽  
RONALD C. DENNEY
Keyword(s):  
Bromination Product ◽  
Abstract Structure

The crystal and molecular structure of a bromination product of (+)tetrahydrorugulosin

1968 ◽  
Vol 9 (58) ◽  
pp. 6135-6138 ◽  
Author(s):  
Nobuko Kobayashi ◽  
Yoichi Iitaka ◽  
Ushio Sankawa ◽  
Yukio Ogihara ◽  
Shoji Shibata
Keyword(s):  
Molecular Structure ◽  
Crystal And Molecular Structure ◽  
Bromination Product

The bromination product of santonic acid in wet chloroform

1987 ◽  
Vol 28 (46) ◽  
pp. 5641-5642 ◽  
Author(s):  
Udai S. Niak ◽  
S.K. Paknikar ◽  
Robert B. Bates ◽  
Fernando A. Camou
Keyword(s):  
Bromination Product

ChemInform Abstract: Dibromocamphor Bromination Product of 1-Hydroxycamphene Skeleton.

ChemInform ◽  
2010 ◽  
Vol 25 (49) ◽  
pp. no-no
Author(s):  
R. ANTKOWIAK ◽  
W. Z. ANTKOWIAK
Keyword(s):  
Bromination Product

Dibromocamphor bromination product of 1-hydroxycamphene skeleton

1994 ◽  
Vol 35 (29) ◽  
pp. 5283-5284 ◽  
Author(s):  
Róża Antkowiak ◽  
Wiesław Z. Antkowiak
Keyword(s):  
Bromination Product

Theoretical studies of azulene and its derivatives

2000 ◽  
Vol 78 (2) ◽  
pp. 224-232 ◽  
Author(s):  
Bo-Cheng Wang ◽  
Yun-Shan Lin ◽  
Jian-Chuang Chang ◽  
Pei-Yu Wang
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Relative Stability ◽  
Basis Set ◽  
Basis Sets ◽  
Ground State Structure ◽  
Geometrical Isomers ◽  
Bromination Product ◽  
Geometry Analysis ◽  
Dft And Mp2 Calculations

The results of ab initio calculations with the 6-31G basis sets on azulene and its derivatives (including azulenequinones and diazoazulenequinones) are presented in accordance with considerations of their structures and bonding. Azulene is a non-alternant compound with ten π electrons and has either a Cs or C2v symmetry depending on the different carbon bonding. The semiempirical and HF ab initio calculations converge to a Cs symmetry and the DFT and MP2 calculations converge to a C2v symmetry as a ground state structure of azulene. The CIS calculations describe the excited state of azulene and the first excitation energy (S0 - S1) is 533 nm (CIS/6-31+G*), which could illustrate the azure color of azulene. According to the geometry analysis, there are 16 geometrical isomers in azulenequinone conjugated diketones of azulene. Ab initio calculation with the 6-31G basis set generates 1,5- and 1,7-azulenequinone being the most stable isomers of azulenequinone. Theoretically, the relative stability of the bromination product of azulenequinones indicates that 7-bromo-1,5-azulenequinone and 3-bromo-1,7- azulenequinone (for monobromoazulenequinones) and 3,7-dibromo-1,5- azulenequinone and 3,5-dibromo-1,7-azulenequinone (for dibromoazulenequinones) are more stable isomers. The product of diazotization of amino- bromoazulenes is diazoazulenequinone in which a diazo group replaces a ketone group. Isomeric 1,8- and 1,2-diazoazulenequinones are the most stable isomers of diazoazulenequinone according to the theoretical consideration. Due to the resonance and relative stability, diazoazulenequinone may easily extrude nitrogen and form the corresponding triplet ketocarbene intermediate and electronic isomers that undergo photoreaction with THF leading to a polyether bridged azulene (crown type ether). The cyclic reactions in diazoazulenequinone are also studied.Key words: azulene, azulenequinone, diazoazulenequinone, ab initio.

scholarly journals On the Structure of the Bromination Product of 4-Methyl-4,3-borazaroisoquinoline.

1966 ◽  
Vol 20 ◽  
pp. 1448-1449 ◽  
Author(s):  
Johannes Namtvedt ◽  
Salo Gronowitz ◽  
J. Niinikoski ◽  
E. Kulonen ◽  
J. Brunvoll ◽  
...  
Keyword(s):  
Bromination Product
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