Effect of noncovalent interactions on conformers of the n-butylbenzene monomer studied by mass analyzed threshold ionization spectroscopy and basis-set convergent ab initio computations

Journal of Physical Chemistry A

Volumn 112, Issue 26, 2008, Pages 5866-5871

  Tong, Xin ^a   Černý, Jiří ^a   Müller Dethlefs, Klaus ^a   Dessent, Caroline E H ^b  

^a UNIVERSITY OF MANCHESTER   (United Kingdom)

^b UNIVERSITY OF YORK   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

CONFORMATIONS; HYDROCARBONS; IONIZATION; ISOMERS; MONOMERS; ORGANIC COMPOUNDS;

AB INITIO COMPUTATIONS; BUTYLBENZENE; CATIONIC STATES; CONFORMATIONAL ISOMERS; IONIZATION DYNAMICS; MASS ANALYZED THRESHOLD IONIZATION SPECTROSCOPY; MASS-ANALYZED THRESHOLD IONIZATION; NON-COVALENT INTERACTIONS; TWO-COLOR; TWO-COLOR EXCITATION;

AROMATIC HYDROCARBONS;

EID: 53349099749     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp710997q     Document Type: Article

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34. 10°band origins of isomer I and V were used to calculate relative energy difference. This approach was not used here due to the large errors that would be incurred for the low intensity isomer III and V band origins.