Conformational analysis through selective isotopic substitution: supersonic jet spectroscopic determination of the minimum energy conformation of o-xylene

1992 ◽  
pp. 713 ◽  
Author(s):  
Jeffrey I. Seeman ◽  
Henry V. Secor ◽  
R. Disselkamp ◽  
E. R. Bernstein
Keyword(s):  
Conformational Analysis ◽  
Minimum Energy ◽  
Supersonic Jet ◽  
Spectroscopic Determination ◽  
Isotopic Substitution ◽  
Minimum Energy Conformation

scholarly journals Structure determination of a novel cyclic phosphocompound isolated from Desulfovibrio desulfuricans

1992 ◽  
Vol 285 (2) ◽  
pp. 387-390 ◽  
Author(s):  
D L Turner ◽  
H Santos ◽  
P Fareleira ◽  
I Pacheco ◽  
J LeGall ◽  
...  
Keyword(s):  
Structure Determination ◽  
Minimum Energy ◽  
Desulfovibrio Desulfuricans ◽  
The Novel ◽  
Relative Configuration ◽  
Minimum Energy Conformation

The structure of a novel diphosphodiester compound recently detected in Desulfovibrio desulfuricans cells [Santos, Fareleira, Pedregal, LeGall & Xavier (1991) Eur. J. Biochem. 201, 283-287] was fully elucidated using a combination of n.m.r. techniques in aqueous and in methanolic solutions. The novel metabolite was identified as 3-methyl-1,2,3,4-tetrahydroxybutane-1,3-cyclic bisphosphate, and the minimum energy conformation is presented. The two chiral centres have the relative configuration RS.

Conformational analysis by infrared linear dichroism of solutes in stretched polyethylene: The twist angle in biphenyl and 4,4'-dibromobiphenyl

1988 ◽  
Vol 53 (10) ◽  
pp. 2366-2376 ◽  
Author(s):  
Parvathi S. Murthy ◽  
Josef Michl
Keyword(s):  
Conformational Analysis ◽  
Twist Angle ◽  
Spatial Relationship ◽  
Linear Dichroism ◽  
Molecular Shape ◽  
Isotopic Substitution ◽  
Weakly Coupled ◽  
Orientation Mechanism ◽  
Relationship Of

A method is proposed for using the IR linear dichroism of molecules embedded in stretched polyethylene and containing two weakly coupled symmetry-related subunits for the determination of the spatial relationship of the subunits. The procedure requires an IR LD measurement on the parent and on an isotopomer in which the equivalence of the subunits has been removed by isotopic substitution, without affecting the molecular shape or the orientation factors. The method has been tested on biphenyl, found to be planar, and 4,4'-dibromobiphenyl, found to be nearly orthogonally twisted in stretched polyethylene. Possible implications for the orientation mechanism are discussed briefly.

Determination of the minimum-energy conformation of allylbenzene and its clusters with methane, ethane, water, and ammonia

1989 ◽  
Vol 93 (18) ◽  
pp. 6731-6736 ◽  
Author(s):  
P. J. Breen ◽  
E. R. Bernstein ◽  
Jeffrey I. Seeman ◽  
Henry V. Secor
Keyword(s):  
Minimum Energy ◽  
Minimum Energy Conformation

scholarly journals Spectroscopic Determination of an Anion−π Bond Strength

2019 ◽  
Vol 141 (15) ◽  
pp. 6132-6135 ◽  
Author(s):  
Cate S. Anstöter ◽  
Joshua P. Rogers ◽  
Jan R. R. Verlet
Keyword(s):  
Bond Strength ◽  
Spectroscopic Determination

One-photon VUV-MATI and two-photon IR+VUV-MATI spectroscopic determination of oxetane cation ring-puckering vibrations and conformation

2021 ◽  
Vol 154 (5) ◽  
pp. 054308
Author(s):  
Do Won Kang ◽  
Sung Man Park ◽  
Chung Bin Park ◽  
Bong June Sung ◽  
Hong Lae Kim ◽  
...  
Keyword(s):  
Spectroscopic Determination ◽  
Two Photon ◽  
Ring Puckering

Asymmetric Total Synthesis and Determination of the Absolute Configuration of (+)-Srilankenyne via Sequence-Sensitive Halogenations Guided by Conformational Analysis

2021 ◽  
Vol 23 (4) ◽  
pp. 1321-1326
Author(s):  
Hongjun Jang ◽  
Soo Yeon Kwak ◽  
Dongjoo Lee ◽  
Juan V. Alegre-Requena ◽  
Hyoungsu Kim ◽  
...  
Keyword(s):  
Total Synthesis ◽  
Conformational Analysis ◽  
Absolute Configuration ◽  
Asymmetric Total Synthesis ◽  
The Absolute
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