Crystal structure and terahertz spectroscopy of α,α,α′,α′-tetrabromo-p-xylene modeled using solid-state density functional theory

Steven Pellizzeri; Tiffany M. Smith; Sean P. Delaney; Timothy M. Korter; Jon Zubieta

doi:10.1016/J.MOLSTRUC.2013.11.022

Crystal structure and terahertz spectroscopy of α,α,α′,α′-tetrabromo-p-xylene modeled using solid-state density functional theory

Steven Pellizzeri
, Tiffany M. Smith
, Sean P. Delaney
, Timothy M. Korter
, Jon Zubieta

Syracuse University

Producción científica › revisión exhaustiva

Idioma original	American English
Publicación	Journal of Molecular Structure
Volumen	1058
DOI	https://doi.org/10.1016/J.MOLSTRUC.2013.11.022
Estado	Published - ene 24 2014
Publicado de forma externa	Sí

Disciplines

Other Earth Sciences

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10.1016/J.MOLSTRUC.2013.11.022Licencia: Unspecified

Otros archivos y enlaces

http://ui.adsabs.harvard.edu/abs/2014JMoSt1058..265P/abstract

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title = "Crystal structure and terahertz spectroscopy of α,α,α′,α′-tetrabromo-p-xylene modeled using solid-state density functional theory",

author = "Steven Pellizzeri and Smith, \{Tiffany M.\} and Delaney, \{Sean P.\} and Korter, \{Timothy M.\} and Jon Zubieta",

note = "The previously unknown crystal structure of α,α,α′,α′-tetrabromo-p-xylene has been determined using single-crystal X-ray diffraction, and it was discovered that the molecular packing primarily involves electrostatic interactions between neighboring molecules. Due to the unusual nature of the packing in this system, the vibrational motions were investigated.",

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doi = "10.1016/J.MOLSTRUC.2013.11.022",

language = "American English",

volume = "1058",

journal = "Journal of Molecular Structure",

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T1 - Crystal structure and terahertz spectroscopy of α,α,α′,α′-tetrabromo-p-xylene modeled using solid-state density functional theory

AU - Pellizzeri, Steven

AU - Smith, Tiffany M.

AU - Delaney, Sean P.

AU - Korter, Timothy M.

AU - Zubieta, Jon

N1 - The previously unknown crystal structure of α,α,α′,α′-tetrabromo-p-xylene has been determined using single-crystal X-ray diffraction, and it was discovered that the molecular packing primarily involves electrostatic interactions between neighboring molecules. Due to the unusual nature of the packing in this system, the vibrational motions were investigated.

PY - 2014/1/24

Y1 - 2014/1/24

UR - http://ui.adsabs.harvard.edu/abs/2014JMoSt1058..265P/abstract

U2 - 10.1016/J.MOLSTRUC.2013.11.022

DO - 10.1016/J.MOLSTRUC.2013.11.022

M3 - Article

VL - 1058

JO - Journal of Molecular Structure

JF - Journal of Molecular Structure

ER -