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

Research output: Contribution to journal › Article › peer-review

Original language	American English
Journal	Journal of Molecular Structure
Volume	1058
DOIs	https://doi.org/10.1016/J.MOLSTRUC.2013.11.022
State	Published - Jan 24 2014
Externally published	Yes

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@article{d07b4dc0f6b64cf9a5f5cc1d4cf4877a,

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.",

year = "2014",

month = jan,

day = "24",

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

language = "American English",

volume = "1058",

journal = "Journal of Molecular Structure",

}

TY - JOUR

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 -

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

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